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Apr 21

Coresets from Trajectories: Selecting Data via Correlation of Loss Differences

Deep learning models achieve state-of-the-art performance across domains but face scalability challenges in real-time or resource-constrained scenarios. To address this, we propose Correlation of Loss Differences (CLD), a simple and scalable metric for coreset selection that identifies the most impactful training samples by measuring their alignment with the loss trajectories of a held-out validation set. CLD is highly efficient, requiring only per-sample loss values computed at training checkpoints, and avoiding the costly gradient and curvature computations used in many existing subset selection methods. We develop a general theoretical framework that establishes convergence guarantees for CLD-based coresets, demonstrating that the convergence error is upper-bounded by the alignment of the selected samples and the representativeness of the validation set. On CIFAR-100 and ImageNet-1k, CLD-based coresets typically outperform or closely match state-of-the-art methods across subset sizes, and remain within 1% of more computationally expensive baselines even when not leading. CLD transfers effectively across architectures (ResNet, VGG, DenseNet), enabling proxy-to-target selection with <1% degradation. Moreover, CLD is stable when using only early checkpoints, incurring negligible accuracy loss. Finally, CLD exhibits inherent bias reduction via per-class validation alignment, obviating the need for additional stratified sampling. Together, these properties make CLD a principled, efficient, stable, and transferable tool for scalable dataset optimization.

  • 3 authors
·
Aug 27, 2025

LESS: Selecting Influential Data for Targeted Instruction Tuning

Instruction tuning has unlocked powerful capabilities in large language models (LLMs), effectively using combined datasets to develop generalpurpose chatbots. However, real-world applications often require a specialized suite of skills (e.g., reasoning). The challenge lies in identifying the most relevant data from these extensive datasets to effectively develop specific capabilities, a setting we frame as targeted instruction tuning. We propose LESS, an optimizer-aware and practically efficient algorithm to effectively estimate data influences and perform Low-rank gradiEnt Similarity Search for instruction data selection. Crucially, LESS adapts existing influence formulations to work with the Adam optimizer and variable-length instruction data. LESS first constructs a highly reusable and transferable gradient datastore with low-dimensional gradient features and then selects examples based on their similarity to few-shot examples embodying a specific capability. Experiments show that training on a LESS-selected 5% of the data can often outperform training on the full dataset across diverse downstream tasks. Furthermore, the selected data is highly transferable: smaller models can be leveraged to select useful data for larger models and models from different families. Our qualitative analysis shows that our method goes beyond surface form cues to identify data that exemplifies the necessary reasoning skills for the intended downstream application.

  • 5 authors
·
Feb 6, 2024 2

Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks

Molecular dynamics (MD) simulations play a crucial role in scientific research. Yet their computational cost often limits the timescales and system sizes that can be explored. Most data-driven efforts have been focused on reducing the computational cost of accurate interatomic forces required for solving the equations of motion. Despite their success, however, these machine learning interatomic potentials (MLIPs) are still bound to small time-steps. In this work, we introduce TrajCast, a transferable and data-efficient framework based on autoregressive equivariant message passing networks that directly updates atomic positions and velocities lifting the constraints imposed by traditional numerical integration. We benchmark our framework across various systems, including a small molecule, crystalline material, and bulk liquid, demonstrating excellent agreement with reference MD simulations for structural, dynamical, and energetic properties. Depending on the system, TrajCast allows for forecast intervals up to 30times larger than traditional MD time-steps, generating over 15 ns of trajectory data per day for a solid with more than 4,000 atoms. By enabling efficient large-scale simulations over extended timescales, TrajCast can accelerate materials discovery and explore physical phenomena beyond the reach of traditional simulations and experiments. An open-source implementation of TrajCast is accessible under https://github.com/IBM/trajcast.

  • 6 authors
·
Mar 31, 2025

$\textit{Trans-LoRA}$: towards data-free Transferable Parameter Efficient Finetuning

Low-rank adapters (LoRA) and their variants are popular parameter-efficient fine-tuning (PEFT) techniques that closely match full model fine-tune performance while requiring only a small number of additional parameters. These additional LoRA parameters are specific to the base model being adapted. When the base model needs to be deprecated and replaced with a new one, all the associated LoRA modules need to be re-trained. Such re-training requires access to the data used to train the LoRA for the original base model. This is especially problematic for commercial cloud applications where the LoRA modules and the base models are hosted by service providers who may not be allowed to host proprietary client task data. To address this challenge, we propose Trans-LoRA -- a novel method for lossless, nearly data-free transfer of LoRAs across base models. Our approach relies on synthetic data to transfer LoRA modules. Using large language models, we design a synthetic data generator to approximate the data-generating process of the observed task data subset. Training on the resulting synthetic dataset transfers LoRA modules to new models. We show the effectiveness of our approach using both LLama and Gemma model families. Our approach achieves lossless (mostly improved) LoRA transfer between models within and across different base model families, and even between different PEFT methods, on a wide variety of tasks.

  • 7 authors
·
May 27, 2024

Cream of the Crop: Harvesting Rich, Scalable and Transferable Multi-Modal Data for Instruction Fine-Tuning

The hypothesis that pretrained large language models (LLMs) necessitate only minimal supervision during the fine-tuning (SFT) stage (Zhou et al., 2024) has been substantiated by recent advancements in data curation and selection research. However, their stability and generalizability are compromised due to the vulnerability to experimental setups and validation protocols, falling short of surpassing random sampling (Diddee & Ippolito, 2024; Xia et al., 2024b). Built upon LLMs, multi-modal LLMs (MLLMs), combined with the sheer token volume and heightened heterogeneity of data sources, amplify both the significance and complexity of data selection. To harvest multi-modal instructional data in a robust and efficient manner, we re-define the granularity of the quality metric by decomposing it into 14 vision-language-related capabilities, and introduce multi-modal rich scorers to evaluate the capabilities of each data candidate. To promote diversity, in light of the inherent objective of the alignment stage, we take interaction style as diversity indicator and use a multi-modal rich styler to identify data instruction patterns. In doing so, our multi-modal rich scorers and styler (mmSSR) guarantee that high-scoring information is conveyed to users in diversified forms. Free from embedding-based clustering or greedy sampling, mmSSR efficiently scales to millions of data with varying budget constraints, supports customization for general or specific capability acquisition, and facilitates training-free generalization to new domains for curation. Across 10+ experimental settings, validated by 14 multi-modal benchmarks, we demonstrate consistent improvements over random sampling, baseline strategies and state-of-the-art selection methods, achieving 99.1% of full performance with only 30% of the 2.6M data.

  • 8 authors
·
Mar 17, 2025

Towards Foundation Models for Learning on Tabular Data

Learning on tabular data underpins numerous real-world applications. Despite considerable efforts in developing effective learning models for tabular data, current transferable tabular models remain in their infancy, limited by either the lack of support for direct instruction following in new tasks or the neglect of acquiring foundational knowledge and capabilities from diverse tabular datasets. In this paper, we propose Tabular Foundation Models (TabFMs) to overcome these limitations. TabFMs harness the potential of generative tabular learning, employing a pre-trained large language model (LLM) as the base model and fine-tuning it using purpose-designed objectives on an extensive range of tabular datasets. This approach endows TabFMs with a profound understanding and universal capabilities essential for learning on tabular data. Our evaluations underscore TabFM's effectiveness: not only does it significantly excel in instruction-following tasks like zero-shot and in-context inference, but it also showcases performance that approaches, and in instances, even transcends, the renowned yet mysterious closed-source LLMs like GPT-4. Furthermore, when fine-tuning with scarce data, our model achieves remarkable efficiency and maintains competitive performance with abundant training data. Finally, while our results are promising, we also delve into TabFM's limitations and potential opportunities, aiming to stimulate and expedite future research on developing more potent TabFMs.

  • 5 authors
·
Oct 11, 2023

TERA: Self-Supervised Learning of Transformer Encoder Representation for Speech

We introduce a self-supervised speech pre-training method called TERA, which stands for Transformer Encoder Representations from Alteration. Recent approaches often learn by using a single auxiliary task like contrastive prediction, autoregressive prediction, or masked reconstruction. Unlike previous methods, we use alteration along three orthogonal axes to pre-train Transformer Encoders on a large amount of unlabeled speech. The model learns through the reconstruction of acoustic frames from their altered counterpart, where we use a stochastic policy to alter along various dimensions: time, frequency, and magnitude. TERA can be used for speech representations extraction or fine-tuning with downstream models. We evaluate TERA on several downstream tasks, including phoneme classification, keyword spotting, speaker recognition, and speech recognition. We present a large-scale comparison of various self-supervised models. TERA achieves strong performance in the comparison by improving upon surface features and outperforming previous models. In our experiments, we study the effect of applying different alteration techniques, pre-training on more data, and pre-training on various features. We analyze different model sizes and find that smaller models are strong representation learners than larger models, while larger models are more effective for downstream fine-tuning than smaller models. Furthermore, we show the proposed method is transferable to downstream datasets not used in pre-training.

  • 3 authors
·
Jul 12, 2020

Robust Weight Signatures: Gaining Robustness as Easy as Patching Weights?

Given a robust model trained to be resilient to one or multiple types of distribution shifts (e.g., natural image corruptions), how is that "robustness" encoded in the model weights, and how easily can it be disentangled and/or "zero-shot" transferred to some other models? This paper empirically suggests a surprisingly simple answer: linearly - by straightforward model weight arithmetic! We start by drawing several key observations: (1)assuming that we train the same model architecture on both a clean dataset and its corrupted version, resultant weights mostly differ in shallow layers; (2)the weight difference after projection, which we call "Robust Weight Signature" (RWS), appears to be discriminative and indicative of different corruption types; (3)for the same corruption type, the RWSs obtained by one model architecture are highly consistent and transferable across different datasets. We propose a minimalistic model robustness "patching" framework that carries a model trained on clean data together with its pre-extracted RWSs. In this way, injecting certain robustness to the model is reduced to directly adding the corresponding RWS to its weight. We verify our proposed framework to be remarkably (1)lightweight. since RWSs concentrate on the shallowest few layers and we further show they can be painlessly quantized, storing an RWS is up to 13 x more compact than storing the full weight copy; (2)in-situ adjustable. RWSs can be appended as needed and later taken off to restore the intact clean model. We further demonstrate one can linearly re-scale the RWS to control the patched robustness strength; (3)composable. Multiple RWSs can be added simultaneously to patch more comprehensive robustness at once; and (4)transferable. Even when the clean model backbone is continually adapted or updated, RWSs remain as effective patches due to their outstanding cross-dataset transferability.

  • 3 authors
·
Feb 24, 2023

Omics-scale polymer computational database transferable to real-world artificial intelligence applications

Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such as natural language processing, materials science, particularly polymer research, has significantly lagged in developing extensive open datasets. This lag is primarily due to the high costs of polymer synthesis and property measurements, along with the vastness and complexity of the chemical space. This study presents PolyOmics, an omics-scale computational database generated through fully automated molecular dynamics simulation pipelines that provide diverse physical properties for over 10^5 polymeric materials. The PolyOmics database is collaboratively developed by approximately 260 researchers from 48 institutions to bridge the gap between academia and industry. Machine learning models pretrained on PolyOmics can be efficiently fine-tuned for a wide range of real-world downstream tasks, even when only limited experimental data are available. Notably, the generalisation capability of these simulation-to-real transfer models improve significantly as the size of the PolyOmics database increases, exhibiting power-law scaling. The emergence of scaling laws supports the "more is better" principle, highlighting the significance of ultralarge-scale computational materials data for improving real-world prediction performance. This unprecedented omics-scale database reveals vast unexplored regions of polymer materials, providing a foundation for AI-driven polymer science.

  • 106 authors
·
Nov 7, 2025

Transferable Tactile Transformers for Representation Learning Across Diverse Sensors and Tasks

This paper presents T3: Transferable Tactile Transformers, a framework for tactile representation learning that scales across multi-sensors and multi-tasks. T3 is designed to overcome the contemporary issue that camera-based tactile sensing is extremely heterogeneous, i.e. sensors are built into different form factors, and existing datasets were collected for disparate tasks. T3 captures the shared latent information across different sensor-task pairings by constructing a shared trunk transformer with sensor-specific encoders and task-specific decoders. The pre-training of T3 utilizes a novel Foundation Tactile (FoTa) dataset, which is aggregated from several open-sourced datasets and it contains over 3 million data points gathered from 13 sensors and 11 tasks. FoTa is the largest and most diverse dataset in tactile sensing to date and it is made publicly available in a unified format. Across various sensors and tasks, experiments show that T3 pre-trained with FoTa achieved zero-shot transferability in certain sensor-task pairings, can be further fine-tuned with small amounts of domain-specific data, and its performance scales with bigger network sizes. T3 is also effective as a tactile encoder for long horizon contact-rich manipulation. Results from sub-millimeter multi-pin electronics insertion tasks show that T3 achieved a task success rate 25% higher than that of policies trained with tactile encoders trained from scratch, or 53% higher than without tactile sensing. Data, code, and model checkpoints are open-sourced at https://t3.alanz.info.

  • 4 authors
·
Jun 19, 2024

TransTab: Learning Transferable Tabular Transformers Across Tables

Tabular data (or tables) are the most widely used data format in machine learning (ML). However, ML models often assume the table structure keeps fixed in training and testing. Before ML modeling, heavy data cleaning is required to merge disparate tables with different columns. This preprocessing often incurs significant data waste (e.g., removing unmatched columns and samples). How to learn ML models from multiple tables with partially overlapping columns? How to incrementally update ML models as more columns become available over time? Can we leverage model pretraining on multiple distinct tables? How to train an ML model which can predict on an unseen table? To answer all those questions, we propose to relax fixed table structures by introducing a Transferable Tabular Transformer (TransTab) for tables. The goal of TransTab is to convert each sample (a row in the table) to a generalizable embedding vector, and then apply stacked transformers for feature encoding. One methodology insight is combining column description and table cells as the raw input to a gated transformer model. The other insight is to introduce supervised and self-supervised pretraining to improve model performance. We compare TransTab with multiple baseline methods on diverse benchmark datasets and five oncology clinical trial datasets. Overall, TransTab ranks 1.00, 1.00, 1.78 out of 12 methods in supervised learning, feature incremental learning, and transfer learning scenarios, respectively; and the proposed pretraining leads to 2.3% AUC lift on average over the supervised learning.

  • 2 authors
·
May 19, 2022

H2R-Grounder: A Paired-Data-Free Paradigm for Translating Human Interaction Videos into Physically Grounded Robot Videos

Robots that learn manipulation skills from everyday human videos could acquire broad capabilities without tedious robot data collection. We propose a video-to-video translation framework that converts ordinary human-object interaction videos into motion-consistent robot manipulation videos with realistic, physically grounded interactions. Our approach does not require any paired human-robot videos for training only a set of unpaired robot videos, making the system easy to scale. We introduce a transferable representation that bridges the embodiment gap: by inpainting the robot arm in training videos to obtain a clean background and overlaying a simple visual cue (a marker and arrow indicating the gripper's position and orientation), we can condition a generative model to insert the robot arm back into the scene. At test time, we apply the same process to human videos (inpainting the person and overlaying human pose cues) and generate high-quality robot videos that mimic the human's actions. We fine-tune a SOTA video diffusion model (Wan 2.2) in an in-context learning manner to ensure temporal coherence and leveraging of its rich prior knowledge. Empirical results demonstrate that our approach achieves significantly more realistic and grounded robot motions compared to baselines, pointing to a promising direction for scaling up robot learning from unlabeled human videos. Project page: https://showlab.github.io/H2R-Grounder/

  • 5 authors
·
Dec 10, 2025 2

Transferable Parasitic Estimation via Graph Contrastive Learning and Label Rebalancing in AMS Circuits

Graph representation learning on Analog-Mixed Signal (AMS) circuits is crucial for various downstream tasks, e.g., parasitic estimation. However, the scarcity of design data, the unbalanced distribution of labels, and the inherent diversity of circuit implementations pose significant challenges to learning robust and transferable circuit representations. To address these limitations, we propose CircuitGCL, a novel graph contrastive learning framework that integrates representation scattering and label rebalancing to enhance transferability across heterogeneous circuit graphs. CircuitGCL employs a self-supervised strategy to learn topology-invariant node embeddings through hyperspherical representation scattering, eliminating dependency on large-scale data. Simultaneously, balanced mean squared error (BMSE) and balanced softmax cross-entropy (BSCE) losses are introduced to mitigate label distribution disparities between circuits, enabling robust and transferable parasitic estimation. Evaluated on parasitic capacitance estimation (edge-level task) and ground capacitance classification (node-level task) across TSMC 28nm AMS designs, CircuitGCL outperforms all state-of-the-art (SOTA) methods, with the R^2 improvement of 33.64% sim 44.20% for edge regression and F1-score gain of 0.9times sim 2.1times for node classification. Our code is available at https://github.com/ShenShan123/CircuitGCL.

  • 7 authors
·
Jul 9, 2025

Learning Transferable Spatiotemporal Representations from Natural Script Knowledge

Pre-training on large-scale video data has become a common recipe for learning transferable spatiotemporal representations in recent years. Despite some progress, existing methods are mostly limited to highly curated datasets (e.g., K400) and exhibit unsatisfactory out-of-the-box representations. We argue that it is due to the fact that they only capture pixel-level knowledge rather than spatiotemporal semantics, which hinders further progress in video understanding. Inspired by the great success of image-text pre-training (e.g., CLIP), we take the first step to exploit language semantics to boost transferable spatiotemporal representation learning. We introduce a new pretext task, Turning to Video for Transcript Sorting (TVTS), which sorts shuffled ASR scripts by attending to learned video representations. We do not rely on descriptive captions and learn purely from video, i.e., leveraging the natural transcribed speech knowledge to provide noisy but useful semantics over time. Our method enforces the vision model to contextualize what is happening over time so that it can re-organize the narrative transcripts, and can seamlessly apply to large-scale uncurated video data in the real world. Our method demonstrates strong out-of-the-box spatiotemporal representations on diverse benchmarks, e.g., +13.6% gains over VideoMAE on SSV2 via linear probing. The code is available at https://github.com/TencentARC/TVTS.

  • 7 authors
·
Sep 30, 2022

Noise May Contain Transferable Knowledge: Understanding Semi-supervised Heterogeneous Domain Adaptation from an Empirical Perspective

Semi-supervised heterogeneous domain adaptation (SHDA) addresses learning across domains with distinct feature representations and distributions, where source samples are labeled while most target samples are unlabeled, with only a small fraction labeled. Moreover, there is no one-to-one correspondence between source and target samples. Although various SHDA methods have been developed to tackle this problem, the nature of the knowledge transferred across heterogeneous domains remains unclear. This paper delves into this question from an empirical perspective. We conduct extensive experiments on about 330 SHDA tasks, employing two supervised learning methods and seven representative SHDA methods. Surprisingly, our observations indicate that both the category and feature information of source samples do not significantly impact the performance of the target domain. Additionally, noise drawn from simple distributions, when used as source samples, may contain transferable knowledge. Based on this insight, we perform a series of experiments to uncover the underlying principles of transferable knowledge in SHDA. Specifically, we design a unified Knowledge Transfer Framework (KTF) for SHDA. Based on the KTF, we find that the transferable knowledge in SHDA primarily stems from the transferability and discriminability of the source domain. Consequently, ensuring those properties in source samples, regardless of their origin (e.g., image, text, noise), can enhance the effectiveness of knowledge transfer in SHDA tasks. The codes and datasets are available at https://github.com/yyyaoyuan/SHDA.

  • 5 authors
·
Feb 19, 2025 2

Learning Transferable Architectures for Scalable Image Recognition

Developing neural network image classification models often requires significant architecture engineering. In this paper, we study a method to learn the model architectures directly on the dataset of interest. As this approach is expensive when the dataset is large, we propose to search for an architectural building block on a small dataset and then transfer the block to a larger dataset. The key contribution of this work is the design of a new search space (the "NASNet search space") which enables transferability. In our experiments, we search for the best convolutional layer (or "cell") on the CIFAR-10 dataset and then apply this cell to the ImageNet dataset by stacking together more copies of this cell, each with their own parameters to design a convolutional architecture, named "NASNet architecture". We also introduce a new regularization technique called ScheduledDropPath that significantly improves generalization in the NASNet models. On CIFAR-10 itself, NASNet achieves 2.4% error rate, which is state-of-the-art. On ImageNet, NASNet achieves, among the published works, state-of-the-art accuracy of 82.7% top-1 and 96.2% top-5 on ImageNet. Our model is 1.2% better in top-1 accuracy than the best human-invented architectures while having 9 billion fewer FLOPS - a reduction of 28% in computational demand from the previous state-of-the-art model. When evaluated at different levels of computational cost, accuracies of NASNets exceed those of the state-of-the-art human-designed models. For instance, a small version of NASNet also achieves 74% top-1 accuracy, which is 3.1% better than equivalently-sized, state-of-the-art models for mobile platforms. Finally, the learned features by NASNet used with the Faster-RCNN framework surpass state-of-the-art by 4.0% achieving 43.1% mAP on the COCO dataset.

  • 4 authors
·
Jul 21, 2017

Temporal Consistency Constrained Transferable Adversarial Attacks with Background Mixup for Action Recognition

Action recognition models using deep learning are vulnerable to adversarial examples, which are transferable across other models trained on the same data modality. Existing transferable attack methods face two major challenges: 1) they heavily rely on the assumption that the decision boundaries of the surrogate (a.k.a., source) model and the target model are similar, which limits the adversarial transferability; and 2) their decision boundary difference makes the attack direction uncertain, which may result in the gradient oscillation, weakening the adversarial attack. This motivates us to propose a Background Mixup-induced Temporal Consistency (BMTC) attack method for action recognition. From the input transformation perspective, we design a model-agnostic background adversarial mixup module to reduce the surrogate-target model dependency. In particular, we randomly sample one video from each category and make its background frame, while selecting the background frame with the top attack ability for mixup with the clean frame by reinforcement learning. Moreover, to ensure an explicit attack direction, we leverage the background category as guidance for updating the gradient of adversarial example, and design a temporal gradient consistency loss, which strengthens the stability of the attack direction on subsequent frames. Empirical studies on two video datasets, i.e., UCF101 and Kinetics-400, and one image dataset, i.e., ImageNet, demonstrate that our method significantly boosts the transferability of adversarial examples across several action/image recognition models. Our code is available at https://github.com/mlvccn/BMTC_TransferAttackVid.

  • 3 authors
·
May 23, 2025

Towards A Universally Transferable Acceleration Method for Density Functional Theory

Recently, sophisticated deep learning-based approaches have been developed for generating efficient initial guesses to accelerate the convergence of density functional theory (DFT) calculations. While the actual initial guesses are often density matrices (DM), quantities that can convert into density matrices also qualify as alternative forms of initial guesses. Hence, existing works mostly rely on the prediction of the Hamiltonian matrix for obtaining high-quality initial guesses. However, the Hamiltonian matrix is both numerically difficult to predict and intrinsically non-transferable, hindering the application of such models in real scenarios. In light of this, we propose a method that constructs DFT initial guesses by predicting the electron density in a compact auxiliary basis representation using E(3)-equivariant neural networks. Trained on small molecules with up to 20 atoms, our model is able to achieve an average 33.3% self-consistent field (SCF) step reduction on systems up to 60 atoms, substantially outperforming Hamiltonian-centric and DM-centric models. Critically, this acceleration remains nearly constant with increasing system sizes and exhibits strong transferring behaviors across orbital basis sets and exchange-correlation (XC) functionals. To the best of our knowledge, this work represents the first and robust candidate for a universally transferable DFT acceleration method. We are also releasing the SCFbench dataset and its accompanying code to facilitate future research in this promising direction.

  • 6 authors
·
Sep 29, 2025

STU-Net: Scalable and Transferable Medical Image Segmentation Models Empowered by Large-Scale Supervised Pre-training

Large-scale models pre-trained on large-scale datasets have profoundly advanced the development of deep learning. However, the state-of-the-art models for medical image segmentation are still small-scale, with their parameters only in the tens of millions. Further scaling them up to higher orders of magnitude is rarely explored. An overarching goal of exploring large-scale models is to train them on large-scale medical segmentation datasets for better transfer capacities. In this work, we design a series of Scalable and Transferable U-Net (STU-Net) models, with parameter sizes ranging from 14 million to 1.4 billion. Notably, the 1.4B STU-Net is the largest medical image segmentation model to date. Our STU-Net is based on nnU-Net framework due to its popularity and impressive performance. We first refine the default convolutional blocks in nnU-Net to make them scalable. Then, we empirically evaluate different scaling combinations of network depth and width, discovering that it is optimal to scale model depth and width together. We train our scalable STU-Net models on a large-scale TotalSegmentator dataset and find that increasing model size brings a stronger performance gain. This observation reveals that a large model is promising in medical image segmentation. Furthermore, we evaluate the transferability of our model on 14 downstream datasets for direct inference and 3 datasets for further fine-tuning, covering various modalities and segmentation targets. We observe good performance of our pre-trained model in both direct inference and fine-tuning. The code and pre-trained models are available at https://github.com/Ziyan-Huang/STU-Net.

  • 11 authors
·
Apr 13, 2023

How transferable are features in deep neural networks?

Many deep neural networks trained on natural images exhibit a curious phenomenon in common: on the first layer they learn features similar to Gabor filters and color blobs. Such first-layer features appear not to be specific to a particular dataset or task, but general in that they are applicable to many datasets and tasks. Features must eventually transition from general to specific by the last layer of the network, but this transition has not been studied extensively. In this paper we experimentally quantify the generality versus specificity of neurons in each layer of a deep convolutional neural network and report a few surprising results. Transferability is negatively affected by two distinct issues: (1) the specialization of higher layer neurons to their original task at the expense of performance on the target task, which was expected, and (2) optimization difficulties related to splitting networks between co-adapted neurons, which was not expected. In an example network trained on ImageNet, we demonstrate that either of these two issues may dominate, depending on whether features are transferred from the bottom, middle, or top of the network. We also document that the transferability of features decreases as the distance between the base task and target task increases, but that transferring features even from distant tasks can be better than using random features. A final surprising result is that initializing a network with transferred features from almost any number of layers can produce a boost to generalization that lingers even after fine-tuning to the target dataset.

  • 4 authors
·
Nov 6, 2014

Learning Transferable Visual Models From Natural Language Supervision

State-of-the-art computer vision systems are trained to predict a fixed set of predetermined object categories. This restricted form of supervision limits their generality and usability since additional labeled data is needed to specify any other visual concept. Learning directly from raw text about images is a promising alternative which leverages a much broader source of supervision. We demonstrate that the simple pre-training task of predicting which caption goes with which image is an efficient and scalable way to learn SOTA image representations from scratch on a dataset of 400 million (image, text) pairs collected from the internet. After pre-training, natural language is used to reference learned visual concepts (or describe new ones) enabling zero-shot transfer of the model to downstream tasks. We study the performance of this approach by benchmarking on over 30 different existing computer vision datasets, spanning tasks such as OCR, action recognition in videos, geo-localization, and many types of fine-grained object classification. The model transfers non-trivially to most tasks and is often competitive with a fully supervised baseline without the need for any dataset specific training. For instance, we match the accuracy of the original ResNet-50 on ImageNet zero-shot without needing to use any of the 1.28 million training examples it was trained on. We release our code and pre-trained model weights at https://github.com/OpenAI/CLIP.

  • 12 authors
·
Feb 26, 2021 3

AmpleGCG: Learning a Universal and Transferable Generative Model of Adversarial Suffixes for Jailbreaking Both Open and Closed LLMs

As large language models (LLMs) become increasingly prevalent and integrated into autonomous systems, ensuring their safety is imperative. Despite significant strides toward safety alignment, recent work GCG~zou2023universal proposes a discrete token optimization algorithm and selects the single suffix with the lowest loss to successfully jailbreak aligned LLMs. In this work, we first discuss the drawbacks of solely picking the suffix with the lowest loss during GCG optimization for jailbreaking and uncover the missed successful suffixes during the intermediate steps. Moreover, we utilize those successful suffixes as training data to learn a generative model, named AmpleGCG, which captures the distribution of adversarial suffixes given a harmful query and enables the rapid generation of hundreds of suffixes for any harmful queries in seconds. AmpleGCG achieves near 100\% attack success rate (ASR) on two aligned LLMs (Llama-2-7B-chat and Vicuna-7B), surpassing two strongest attack baselines. More interestingly, AmpleGCG also transfers seamlessly to attack different models, including closed-source LLMs, achieving a 99\% ASR on the latest GPT-3.5. To summarize, our work amplifies the impact of GCG by training a generative model of adversarial suffixes that is universal to any harmful queries and transferable from attacking open-source LLMs to closed-source LLMs. In addition, it can generate 200 adversarial suffixes for one harmful query in only 4 seconds, rendering it more challenging to defend.

  • 2 authors
·
Apr 11, 2024

EEGFormer: Towards Transferable and Interpretable Large-Scale EEG Foundation Model

Self-supervised learning has emerged as a highly effective approach in the fields of natural language processing and computer vision. It is also applicable to brain signals such as electroencephalography (EEG) data, given the abundance of available unlabeled data that exist in a wide spectrum of real-world medical applications ranging from seizure detection to wave analysis. The existing works leveraging self-supervised learning on EEG modeling mainly focus on pretraining upon each individual dataset corresponding to a single downstream task, which cannot leverage the power of abundant data, and they may derive sub-optimal solutions with a lack of generalization. Moreover, these methods rely on end-to-end model learning which is not easy for humans to understand. In this paper, we present a novel EEG foundation model, namely EEGFormer, pretrained on large-scale compound EEG data. The pretrained model cannot only learn universal representations on EEG signals with adaptable performance on various downstream tasks but also provide interpretable outcomes of the useful patterns within the data. To validate the effectiveness of our model, we extensively evaluate it on various downstream tasks and assess the performance under different transfer settings. Furthermore, we demonstrate how the learned model exhibits transferable anomaly detection performance and provides valuable interpretability of the acquired patterns via self-supervised learning.

  • 7 authors
·
Jan 11, 2024

Deep and Sparse Denoising Benchmarks for Spectral Data Cubes of High-z Galaxies: From Simulations to ALMA observations

Beyond cosmic noon, galaxies appear as faint whispers amid noise, yet this epoch is key to understanding massive galaxy assembly. ALMA's sensitivity to cold dust and [C II] emission allows us to probe their interstellar medium, but faint signals make robust denoising essential. We evaluate and benchmark denoising strategies including Principal Component Analysis, Independent Component Analysis, sparse unsupervised representations: iterative soft thresholding with 2D-1D wavelets, and supervised deep learning with a 3D U-Net, to identify techniques that suppress noise while preserving flux and morphology across peak SNRs of 2.5-8, applied to (i) synthetic spectral cubes of rotating toy disk galaxies, (ii) synthetic [C II] IFU cubes from FIRE simulations, and (iii) ALMA [C II] observations of CRISTAL galaxies and W2246-0526. Performance is assessed via RMSE, conservation of flux and spectra, noise reduction, and SNR improvement of the central galaxy. For synthetic cubes: PCA and ICA provide marginal improvement; IST reduces noise effectively at moderate SNRs but can suppress emission at low SNRs; and the U-Net outperforms IST, though it can produce quantifiable hallucinations at lower-SNRs. For moderate-SNR observations (ALMA-CRISTAL), U-Net and IST achieve comparable performance, conserving >91% flux and increasing SNR by >6. However, for observations with complex morphologies absent in the training set (W2246), the U-Net underperforms relative to IST, recovering ~80% flux, while IST robustly conserves flux and improves SNR by ~3, highlighting generalisation challenges and the need for physically-motivated training priors. We conclude that IST is a robust unsupervised denoiser for moderate-SNR data, and a synthetically trained U-Net generalises effectively to real data, dependent on training priors. This framework offers a pathway for transferable denoising for ALMA, VLT/MUSE, and JWST.

  • 7 authors
·
Feb 11

Scaling Laws for Robust Comparison of Open Foundation Language-Vision Models and Datasets

In studies of transferable learning, scaling laws are obtained for various important foundation models to predict their properties and performance at larger scales. We show here how scaling law derivation can also be used for model and dataset comparison, allowing to decide which procedure is to be preferred for pre-training. For the first time, full scaling laws based on dense measurements across a wide span of model and samples seen scales are derived for two important language-vision learning procedures, CLIP and MaMMUT, that use either contrastive only or contrastive and captioning text generative loss. Ensuring sufficient prediction accuracy for held out points, we use derived scaling laws to compare both models, obtaining evidence for MaMMUT's stronger improvement with scale and better sample efficiency than standard CLIP. To strengthen validity of the comparison, we show scaling laws for various downstream tasks, classification, retrieval, and segmentation, and for different open datasets, DataComp, DFN and Re-LAION, observing consistently the same trends. We show that comparison can also be performed when deriving scaling laws with a constant learning rate schedule, reducing compute cost. Accurate derivation of scaling laws provides thus means to perform model and dataset comparison across scale spans, avoiding misleading conclusions based on measurements from single reference scales only, paving the road for systematic comparison and improvement of open foundation models and datasets for their creation. We release all the pre-trained models with their intermediate checkpoints, including openMaMMUT-L/14, which achieves 80.3% zero-shot ImageNet-1k accuracy, trained on 12.8B samples from DataComp-1.4B. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/scaling-laws-for-comparison.

  • 7 authors
·
Jun 4, 2025 2

Cross-D Conv: Cross-Dimensional Transferable Knowledge Base via Fourier Shifting Operation

In biomedical imaging analysis, the dichotomy between 2D and 3D data presents a significant challenge. While 3D volumes offer superior real-world applicability, they are less available for each modality and not easy to train in large scale, whereas 2D samples are abundant but less comprehensive. This paper introduces the Cross-D Conv operation, a novel approach that bridges the dimensional gap by learning the phase shifting in the Fourier domain. Our method enables seamless weight transfer between 2D and 3D convolution operations, effectively facilitating cross-dimensional learning. The proposed architecture leverages the abundance of 2D training data to enhance 3D model performance, offering a practical solution to the multimodal data scarcity challenge in 3D medical model pretraining. Experimental validation on the RadImagenet (2D) and multimodal (3D) sets demonstrates that our approach achieves comparable or superior performance in feature quality assessment comparable to conventional methods. The enhanced convolution operation presents new opportunities for developing efficient classification and segmentation models in medical imaging. This work represents an advancement in cross-dimensional and multi-modal medical image analysis, offering a robust framework for utilizing 2D priors in 3D model pretraining or vice versa while maintaining computational efficiency.

  • 2 authors
·
Nov 2, 2024

Unsupervised Modality-Transferable Video Highlight Detection with Representation Activation Sequence Learning

Identifying highlight moments of raw video materials is crucial for improving the efficiency of editing videos that are pervasive on internet platforms. However, the extensive work of manually labeling footage has created obstacles to applying supervised methods to videos of unseen categories. The absence of an audio modality that contains valuable cues for highlight detection in many videos also makes it difficult to use multimodal strategies. In this paper, we propose a novel model with cross-modal perception for unsupervised highlight detection. The proposed model learns representations with visual-audio level semantics from image-audio pair data via a self-reconstruction task. To achieve unsupervised highlight detection, we investigate the latent representations of the network and propose the representation activation sequence learning (RASL) module with k-point contrastive learning to learn significant representation activations. To connect the visual modality with the audio modality, we use the symmetric contrastive learning (SCL) module to learn the paired visual and audio representations. Furthermore, an auxiliary task of masked feature vector sequence (FVS) reconstruction is simultaneously conducted during pretraining for representation enhancement. During inference, the cross-modal pretrained model can generate representations with paired visual-audio semantics given only the visual modality. The RASL module is used to output the highlight scores. The experimental results show that the proposed framework achieves superior performance compared to other state-of-the-art approaches.

  • 3 authors
·
Mar 14, 2024

See Through Their Minds: Learning Transferable Neural Representation from Cross-Subject fMRI

Deciphering visual content from functional Magnetic Resonance Imaging (fMRI) helps illuminate the human vision system. However, the scarcity of fMRI data and noise hamper brain decoding model performance. Previous approaches primarily employ subject-specific models, sensitive to training sample size. In this paper, we explore a straightforward but overlooked solution to address data scarcity. We propose shallow subject-specific adapters to map cross-subject fMRI data into unified representations. Subsequently, a shared deeper decoding model decodes cross-subject features into the target feature space. During training, we leverage both visual and textual supervision for multi-modal brain decoding. Our model integrates a high-level perception decoding pipeline and a pixel-wise reconstruction pipeline guided by high-level perceptions, simulating bottom-up and top-down processes in neuroscience. Empirical experiments demonstrate robust neural representation learning across subjects for both pipelines. Moreover, merging high-level and low-level information improves both low-level and high-level reconstruction metrics. Additionally, we successfully transfer learned general knowledge to new subjects by training new adapters with limited training data. Compared to previous state-of-the-art methods, notably pre-training-based methods (Mind-Vis and fMRI-PTE), our approach achieves comparable or superior results across diverse tasks, showing promise as an alternative method for cross-subject fMRI data pre-training. Our code and pre-trained weights will be publicly released at https://github.com/YulongBonjour/See_Through_Their_Minds.

  • 5 authors
·
Mar 10, 2024

SciDataCopilot: An Agentic Data Preparation Framework for AGI-driven Scientific Discovery

The current landscape of AI for Science (AI4S) is predominantly anchored in large-scale textual corpora, where generative AI systems excel at hypothesis generation, literature search, and multi-modal reasoning. However, a critical bottleneck for accelerating closed-loop scientific discovery remains the utilization of raw experimental data. Characterized by extreme heterogeneity, high specificity, and deep domain expertise requirements, raw data possess neither direct semantic alignment with linguistic representations nor structural homogeneity suitable for a unified embedding space. The disconnect prevents the emerging class of Artificial General Intelligence for Science (AGI4S) from effectively interfacing with the physical reality of experimentation. In this work, we extend the text-centric AI-Ready concept to Scientific AI-Ready data paradigm, explicitly formalizing how scientific data is specified, structured, and composed within a computational workflow. To operationalize this idea, we propose SciDataCopilot, an autonomous agentic framework designed to handle data ingestion, scientific intent parsing, and multi-modal integration in a end-to-end manner. By positioning data readiness as a core operational primitive, the framework provides a principled foundation for reusable, transferable systems, enabling the transition toward experiment-driven scientific general intelligence. Extensive evaluations across three heterogeneous scientific domains show that SciDataCopilot improves efficiency, scalability, and consistency over manual pipelines, with up to 30times speedup in data preparation.

  • 32 authors
·
Feb 9

BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development

Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the backbone of BAMBOO to learn from quantum mechanical simulations. Additionally, we pioneer an ensemble knowledge distillation approach and apply it on MLFFs to improve the stability of MD simulations. Finally, we propose the density alignment algorithm to align BAMBOO with experimental measurements. BAMBOO demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity across various solvents and salt combinations. Our current model, trained on more than 15 chemical species, achieves the average density error of 0.01 g/cm^3 on various compositions compared with experimental data. Moreover, our model demonstrates transferability to molecules not included in the quantum mechanical dataset. We envision this work as paving the way to a "universal MLFF" capable of simulating properties of common organic liquids.

  • 15 authors
·
Apr 10, 2024

Domain Adversarial Spatial-Temporal Network: A Transferable Framework for Short-term Traffic Forecasting across Cities

Accurate real-time traffic forecast is critical for intelligent transportation systems (ITS) and it serves as the cornerstone of various smart mobility applications. Though this research area is dominated by deep learning, recent studies indicate that the accuracy improvement by developing new model structures is becoming marginal. Instead, we envision that the improvement can be achieved by transferring the "forecasting-related knowledge" across cities with different data distributions and network topologies. To this end, this paper aims to propose a novel transferable traffic forecasting framework: Domain Adversarial Spatial-Temporal Network (DASTNet). DASTNet is pre-trained on multiple source networks and fine-tuned with the target network's traffic data. Specifically, we leverage the graph representation learning and adversarial domain adaptation techniques to learn the domain-invariant node embeddings, which are further incorporated to model the temporal traffic data. To the best of our knowledge, we are the first to employ adversarial multi-domain adaptation for network-wide traffic forecasting problems. DASTNet consistently outperforms all state-of-the-art baseline methods on three benchmark datasets. The trained DASTNet is applied to Hong Kong's new traffic detectors, and accurate traffic predictions can be delivered immediately (within one day) when the detector is available. Overall, this study suggests an alternative to enhance the traffic forecasting methods and provides practical implications for cities lacking historical traffic data.

  • 6 authors
·
Feb 7, 2022

EvoStruggle: A Dataset Capturing the Evolution of Struggle across Activities and Skill Levels

The ability to determine when a person struggles during skill acquisition is crucial for both optimizing human learning and enabling the development of effective assistive systems. As skills develop, the type and frequency of struggles tend to change, and understanding this evolution is key to determining the user's current stage of learning. However, existing manipulation datasets have not focused on how struggle evolves over time. In this work, we collect a dataset for struggle determination, featuring 61.68 hours of video recordings, 2,793 videos, and 5,385 annotated temporal struggle segments collected from 76 participants. The dataset includes 18 tasks grouped into four diverse activities -- tying knots, origami, tangram puzzles, and shuffling cards, representing different task variations. In addition, participants repeated the same task five times to capture their evolution of skill. We define the struggle determination problem as a temporal action localization task, focusing on identifying and precisely localizing struggle segments with start and end times. Experimental results show that Temporal Action Localization models can successfully learn to detect struggle cues, even when evaluated on unseen tasks or activities. The models attain an overall average mAP of 34.56% when generalizing across tasks and 19.24% across activities, indicating that struggle is a transferable concept across various skill-based tasks while still posing challenges for further improvement in struggle detection. Our dataset is available at https://github.com/FELIXFENG2019/EvoStruggle.

  • 3 authors
·
Oct 1, 2025

RAID: A Dataset for Testing the Adversarial Robustness of AI-Generated Image Detectors

AI-generated images have reached a quality level at which humans are incapable of reliably distinguishing them from real images. To counteract the inherent risk of fraud and disinformation, the detection of AI-generated images is a pressing challenge and an active research topic. While many of the presented methods claim to achieve high detection accuracy, they are usually evaluated under idealized conditions. In particular, the adversarial robustness is often neglected, potentially due to a lack of awareness or the substantial effort required to conduct a comprehensive robustness analysis. In this work, we tackle this problem by providing a simpler means to assess the robustness of AI-generated image detectors. We present RAID (Robust evaluation of AI-generated image Detectors), a dataset of 72k diverse and highly transferable adversarial examples. The dataset is created by running attacks against an ensemble of seven state-of-the-art detectors and images generated by four different text-to-image models. Extensive experiments show that our methodology generates adversarial images that transfer with a high success rate to unseen detectors, which can be used to quickly provide an approximate yet still reliable estimate of a detector's adversarial robustness. Our findings indicate that current state-of-the-art AI-generated image detectors can be easily deceived by adversarial examples, highlighting the critical need for the development of more robust methods. We release our dataset at https://huggingface.co/datasets/aimagelab/RAID and evaluation code at https://github.com/pralab/RAID.

  • 11 authors
·
Jun 4, 2025

Less is More: Selective Reduction of CT Data for Self-Supervised Pre-Training of Deep Learning Models with Contrastive Learning Improves Downstream Classification Performance

Self-supervised pre-training of deep learning models with contrastive learning is a widely used technique in image analysis. Current findings indicate a strong potential for contrastive pre-training on medical images. However, further research is necessary to incorporate the particular characteristics of these images. We hypothesize that the similarity of medical images hinders the success of contrastive learning in the medical imaging domain. To this end, we investigate different strategies based on deep embedding, information theory, and hashing in order to identify and reduce redundancy in medical pre-training datasets. The effect of these different reduction strategies on contrastive learning is evaluated on two pre-training datasets and several downstream classification tasks. In all of our experiments, dataset reduction leads to a considerable performance gain in downstream tasks, e.g., an AUC score improvement from 0.78 to 0.83 for the COVID CT Classification Grand Challenge, 0.97 to 0.98 for the OrganSMNIST Classification Challenge and 0.73 to 0.83 for a brain hemorrhage classification task. Furthermore, pre-training is up to nine times faster due to the dataset reduction. In conclusion, the proposed approach highlights the importance of dataset quality and provides a transferable approach to improve contrastive pre-training for classification downstream tasks on medical images.

  • 7 authors
·
Oct 18, 2024

KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) holds the promise to compute ground state molecular properties at minimal cost. However, it has been held back by our inability to compute the kinetic energy as a functional of the electron density only. We here set out to learn the kinetic energy functional from ground truth provided by the more expensive Kohn-Sham density functional theory. Such learning is confronted with two key challenges: Giving the model sufficient expressivity and spatial context while limiting the memory footprint to afford computations on a GPU; and creating a sufficiently broad distribution of training data to enable iterative density optimization even when starting from a poor initial guess. In response, we introduce KineticNet, an equivariant deep neural network architecture based on point convolutions adapted to the prediction of quantities on molecular quadrature grids. Important contributions include convolution filters with sufficient spatial resolution in the vicinity of the nuclear cusp, an atom-centric sparse but expressive architecture that relays information across multiple bond lengths; and a new strategy to generate varied training data by finding ground state densities in the face of perturbations by a random external potential. KineticNet achieves, for the first time, chemical accuracy of the learned functionals across input densities and geometries of tiny molecules. For two electron systems, we additionally demonstrate OF-DFT density optimization with chemical accuracy.

  • 5 authors
·
May 8, 2023

Synthetic Observational Health Data with GANs: from slow adoption to a boom in medical research and ultimately digital twins?

After being collected for patient care, Observational Health Data (OHD) can further benefit patient well-being by sustaining the development of health informatics and medical research. Vast potential is unexploited because of the fiercely private nature of patient-related data and regulations to protect it. Generative Adversarial Networks (GANs) have recently emerged as a groundbreaking way to learn generative models that produce realistic synthetic data. They have revolutionized practices in multiple domains such as self-driving cars, fraud detection, digital twin simulations in industrial sectors, and medical imaging. The digital twin concept could readily apply to modelling and quantifying disease progression. In addition, GANs posses many capabilities relevant to common problems in healthcare: lack of data, class imbalance, rare diseases, and preserving privacy. Unlocking open access to privacy-preserving OHD could be transformative for scientific research. In the midst of COVID-19, the healthcare system is facing unprecedented challenges, many of which of are data related for the reasons stated above. Considering these facts, publications concerning GAN applied to OHD seemed to be severely lacking. To uncover the reasons for this slow adoption, we broadly reviewed the published literature on the subject. Our findings show that the properties of OHD were initially challenging for the existing GAN algorithms (unlike medical imaging, for which state-of-the-art model were directly transferable) and the evaluation synthetic data lacked clear metrics. We find more publications on the subject than expected, starting slowly in 2017, and since then at an increasing rate. The difficulties of OHD remain, and we discuss issues relating to evaluation, consistency, benchmarking, data modelling, and reproducibility.

  • 2 authors
·
May 27, 2020

The Open Polymers 2026 (OPoly26) Dataset and Evaluations

Polymers-macromolecular systems composed of repeating chemical units-constitute the molecular foundation of living organisms, while their synthetic counterparts drive transformative advances across medicine, consumer products, and energy technologies. While machine learning (ML) models have been trained on millions of quantum chemical atomistic simulations for materials and/or small molecular structures to enable efficient, accurate, and transferable predictions of chemical properties, polymers have largely not been included in prior datasets due to the computational expense of high quality electronic structure calculations on representative polymeric structures. Here, we address this shortcoming with the creation of the Open Polymers 2026 (OPoly26) dataset, which contains more than 6.57 million density functional theory (DFT) calculations on up to 360 atom clusters derived from polymeric systems, comprising over 1.2 billion total atoms. OPoly26 captures the chemical diversity that makes polymers intrinsically tunable and versatile materials, encompassing variations in monomer composition, degree of polymerization, chain architectures, and solvation environments. We show that augmenting ML model training with the OPoly26 dataset improves model performance for polymer prediction tasks. We also publicly release the OPoly26 dataset to help further the development of ML models for polymers, and more broadly, strive towards universal atomistic models.

  • 15 authors
·
Dec 28, 2025

Amortized Sampling with Transferable Normalizing Flows

Efficient equilibrium sampling of molecular conformations remains a core challenge in computational chemistry and statistical inference. Classical approaches such as molecular dynamics or Markov chain Monte Carlo inherently lack amortization; the computational cost of sampling must be paid in-full for each system of interest. The widespread success of generative models has inspired interest into overcoming this limitation through learning sampling algorithms. Despite performing on par with conventional methods when trained on a single system, learned samplers have so far demonstrated limited ability to transfer across systems. We prove that deep learning enables the design of scalable and transferable samplers by introducing Prose, a 280 million parameter all-atom transferable normalizing flow trained on a corpus of peptide molecular dynamics trajectories up to 8 residues in length. Prose draws zero-shot uncorrelated proposal samples for arbitrary peptide systems, achieving the previously intractable transferability across sequence length, whilst retaining the efficient likelihood evaluation of normalizing flows. Through extensive empirical evaluation we demonstrate the efficacy of Prose as a proposal for a variety of sampling algorithms, finding a simple importance sampling-based finetuning procedure to achieve superior performance to established methods such as sequential Monte Carlo on unseen tetrapeptides. We open-source the Prose codebase, model weights, and training dataset, to further stimulate research into amortized sampling methods and finetuning objectives.

  • 8 authors
·
Aug 25, 2025

Low-Biased General Annotated Dataset Generation

Pre-training backbone networks on a general annotated dataset (e.g., ImageNet) that comprises numerous manually collected images with category annotations has proven to be indispensable for enhancing the generalization capacity of downstream visual tasks. However, those manually collected images often exhibit bias, which is non-transferable across either categories or domains, thus causing the model's generalization capacity degeneration. To mitigate this problem, we present a low-biased general annotated dataset generation framework (lbGen). Instead of expensive manual collection, we aim at directly generating low-biased images with category annotations. To achieve this goal, we propose to leverage the advantage of a multimodal foundation model (e.g., CLIP), in terms of aligning images in a low-biased semantic space defined by language. Specifically, we develop a bi-level semantic alignment loss, which not only forces all generated images to be consistent with the semantic distribution of all categories belonging to the target dataset in an adversarial learning manner, but also requires each generated image to match the semantic description of its category name. In addition, we further cast an existing image quality scoring model into a quality assurance loss to preserve the quality of the generated image. By leveraging these two loss functions, we can obtain a low-biased image generation model by simply fine-tuning a pre-trained diffusion model using only all category names in the target dataset as input. Experimental results confirm that, compared with the manually labeled dataset or other synthetic datasets, the utilization of our generated low-biased dataset leads to stable generalization capacity enhancement of different backbone networks across various tasks, especially in tasks where the manually labeled samples are scarce.

  • 8 authors
·
Dec 14, 2024

ActionHub: A Large-scale Action Video Description Dataset for Zero-shot Action Recognition

Zero-shot action recognition (ZSAR) aims to learn an alignment model between videos and class descriptions of seen actions that is transferable to unseen actions. The text queries (class descriptions) used in existing ZSAR works, however, are often short action names that fail to capture the rich semantics in the videos, leading to misalignment. With the intuition that video content descriptions (e.g., video captions) can provide rich contextual information of visual concepts in videos, we propose to utilize human annotated video descriptions to enrich the semantics of the class descriptions of each action. However, all existing action video description datasets are limited in terms of the number of actions, the semantics of video descriptions, etc. To this end, we collect a large-scale action video descriptions dataset named ActionHub, which covers a total of 1,211 common actions and provides 3.6 million action video descriptions. With the proposed ActionHub dataset, we further propose a novel Cross-modality and Cross-action Modeling (CoCo) framework for ZSAR, which consists of a Dual Cross-modality Alignment module and a Cross-action Invariance Mining module. Specifically, the Dual Cross-modality Alignment module utilizes both action labels and video descriptions from ActionHub to obtain rich class semantic features for feature alignment. The Cross-action Invariance Mining module exploits a cycle-reconstruction process between the class semantic feature spaces of seen actions and unseen actions, aiming to guide the model to learn cross-action invariant representations. Extensive experimental results demonstrate that our CoCo framework significantly outperforms the state-of-the-art on three popular ZSAR benchmarks (i.e., Kinetics-ZSAR, UCF101 and HMDB51) under two different learning protocols in ZSAR. We will release our code, models, and the proposed ActionHub dataset.

  • 5 authors
·
Jan 21, 2024

The Quest for Generalizable Motion Generation: Data, Model, and Evaluation

Despite recent advances in 3D human motion generation (MoGen) on standard benchmarks, existing models still face a fundamental bottleneck in their generalization capability. In contrast, adjacent generative fields, most notably video generation (ViGen), have demonstrated remarkable generalization in modeling human behaviors, highlighting transferable insights that MoGen can leverage. Motivated by this observation, we present a comprehensive framework that systematically transfers knowledge from ViGen to MoGen across three key pillars: data, modeling, and evaluation. First, we introduce ViMoGen-228K, a large-scale dataset comprising 228,000 high-quality motion samples that integrates high-fidelity optical MoCap data with semantically annotated motions from web videos and synthesized samples generated by state-of-the-art ViGen models. The dataset includes both text-motion pairs and text-video-motion triplets, substantially expanding semantic diversity. Second, we propose ViMoGen, a flow-matching-based diffusion transformer that unifies priors from MoCap data and ViGen models through gated multimodal conditioning. To enhance efficiency, we further develop ViMoGen-light, a distilled variant that eliminates video generation dependencies while preserving strong generalization. Finally, we present MBench, a hierarchical benchmark designed for fine-grained evaluation across motion quality, prompt fidelity, and generalization ability. Extensive experiments show that our framework significantly outperforms existing approaches in both automatic and human evaluations. The code, data, and benchmark will be made publicly available.

Rethinking Language Model Scaling under Transferable Hypersphere Optimization

Scaling laws for large language models depend critically on the optimizer and parameterization. Existing hyperparameter transfer laws are mainly developed for first-order optimizers, and they do not structurally prevent training instability at scale. Recent hypersphere optimization methods constrain weight matrices to a fixed-norm hypersphere, offering a promising alternative for more stable scaling. We introduce HyperP (Hypersphere Parameterization), the first framework for transferring optimal learning rates across model width, depth, training tokens, and Mixture-of-Experts (MoE) granularity under the Frobenius-sphere constraint with the Muon optimizer. We prove that weight decay is a first-order no-op on the Frobenius sphere, show that Depth-μP remains necessary, and find that the optimal learning rate follows the same data-scaling power law with the "magic exponent" 0.32 previously observed for AdamW. A single base learning rate tuned at the smallest scale transfers across all compute budgets under HyperP, yielding 1.58times compute efficiency over a strong Muon baseline at 6times10^{21} FLOPs. Moreover, HyperP delivers transferable stability: all monitored instability indicators, including Z-values, output RMS, and activation outliers, remain bounded and non-increasing under training FLOPs scaling. We also propose SqrtGate, an MoE gating mechanism derived from the hypersphere constraint that preserves output RMS across MoE granularities for improved granularity scaling, and show that hypersphere optimization enables substantially larger auxiliary load-balancing weights, yielding both strong performance and good expert balance. We release our training codebase at https://github.com/microsoft/ArchScale.

  • 4 authors
·
Mar 30

One Surrogate to Fool Them All: Universal, Transferable, and Targeted Adversarial Attacks with CLIP

Deep Neural Networks (DNNs) have achieved widespread success yet remain prone to adversarial attacks. Typically, such attacks either involve frequent queries to the target model or rely on surrogate models closely mirroring the target model -- often trained with subsets of the target model's training data -- to achieve high attack success rates through transferability. However, in realistic scenarios where training data is inaccessible and excessive queries can raise alarms, crafting adversarial examples becomes more challenging. In this paper, we present UnivIntruder, a novel attack framework that relies solely on a single, publicly available CLIP model and publicly available datasets. By using textual concepts, UnivIntruder generates universal, transferable, and targeted adversarial perturbations that mislead DNNs into misclassifying inputs into adversary-specified classes defined by textual concepts. Our extensive experiments show that our approach achieves an Attack Success Rate (ASR) of up to 85% on ImageNet and over 99% on CIFAR-10, significantly outperforming existing transfer-based methods. Additionally, we reveal real-world vulnerabilities, showing that even without querying target models, UnivIntruder compromises image search engines like Google and Baidu with ASR rates up to 84%, and vision language models like GPT-4 and Claude-3.5 with ASR rates up to 80%. These findings underscore the practicality of our attack in scenarios where traditional avenues are blocked, highlighting the need to reevaluate security paradigms in AI applications.

  • 4 authors
·
May 26, 2025

LoveDA: A Remote Sensing Land-Cover Dataset for Domain Adaptive Semantic Segmentation

Deep learning approaches have shown promising results in remote sensing high spatial resolution (HSR) land-cover mapping. However, urban and rural scenes can show completely different geographical landscapes, and the inadequate generalizability of these algorithms hinders city-level or national-level mapping. Most of the existing HSR land-cover datasets mainly promote the research of learning semantic representation, thereby ignoring the model transferability. In this paper, we introduce the Land-cOVEr Domain Adaptive semantic segmentation (LoveDA) dataset to advance semantic and transferable learning. The LoveDA dataset contains 5987 HSR images with 166768 annotated objects from three different cities. Compared to the existing datasets, the LoveDA dataset encompasses two domains (urban and rural), which brings considerable challenges due to the: 1) multi-scale objects; 2) complex background samples; and 3) inconsistent class distributions. The LoveDA dataset is suitable for both land-cover semantic segmentation and unsupervised domain adaptation (UDA) tasks. Accordingly, we benchmarked the LoveDA dataset on eleven semantic segmentation methods and eight UDA methods. Some exploratory studies including multi-scale architectures and strategies, additional background supervision, and pseudo-label analysis were also carried out to address these challenges. The code and data are available at https://github.com/Junjue-Wang/LoveDA.

  • 5 authors
·
May 30, 2022

When to Pre-Train Graph Neural Networks? From Data Generation Perspective!

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

  • 8 authors
·
Mar 29, 2023

LDA-1B: Scaling Latent Dynamics Action Model via Universal Embodied Data Ingestion

Recent robot foundation models largely rely on large-scale behavior cloning, which imitates expert actions but discards transferable dynamics knowledge embedded in heterogeneous embodied data. While the Unified World Model (UWM) formulation has the potential to leverage such diverse data, existing instantiations struggle to scale to foundation-level due to coarse data usage and fragmented datasets. We introduce LDA-1B, a robot foundation model that scales through universal embodied data ingestion by jointly learning dynamics, policy, and visual forecasting, assigning distinct roles to data of varying quality. To support this regime at scale, we assemble and standardize EI-30k, an embodied interaction dataset comprising over 30k hours of human and robot trajectories in a unified format. Scalable dynamics learning over such heterogeneous data is enabled by prediction in a structured DINO latent space, which avoids redundant pixel-space appearance modeling. Complementing this representation, LDA-1B employs a multi-modal diffusion transformer to handle asynchronous vision and action streams, enabling stable training at the 1B-parameter scale. Experiments in simulation and the real world show LDA-1B outperforms prior methods (e.g., π_{0.5}) by up to 21\%, 48\%, and 23\% on contact-rich, dexterous, and long-horizon tasks, respectively. Notably, LDA-1B enables data-efficient fine-tuning, gaining 10\% by leveraging 30\% low-quality trajectories typically harmful and discarded.

  • 23 authors
·
Feb 12

Compress, Then Prompt: Improving Accuracy-Efficiency Trade-off of LLM Inference with Transferable Prompt

While the numerous parameters in Large Language Models (LLMs) contribute to their superior performance, this massive scale makes them inefficient and memory-hungry. Thus, they are hard to deploy on commodity hardware, such as one single GPU. Given the memory and power constraints of such devices, model compression methods are widely employed to reduce both the model size and inference latency, which essentially trades off model quality in return for improved efficiency. Thus, optimizing this accuracy-efficiency trade-off is crucial for the LLM deployment on commodity hardware. In this paper, we introduce a new perspective to optimize this trade-off by prompting compressed models. Specifically, we first observe that for certain questions, the generation quality of a compressed LLM can be significantly improved by adding carefully designed hard prompts, though this isn't the case for all questions. Based on this observation, we propose a soft prompt learning method where we expose the compressed model to the prompt learning process, aiming to enhance the performance of prompts. Our experimental analysis suggests our soft prompt strategy greatly improves the performance of the 8x compressed LLaMA-7B model (with a joint 4-bit quantization and 50% weight pruning compression), allowing them to match their uncompressed counterparts on popular benchmarks. Also, we demonstrate that these learned prompts can be transferred across various datasets, tasks, and compression levels. Hence with this transferability, we can stitch the soft prompt to a newly compressed model to improve the test-time accuracy in an ``in-situ'' way.

  • 8 authors
·
May 17, 2023

Random Teachers are Good Teachers

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.

  • 4 authors
·
Feb 23, 2023

Learning to Animate Images from A Few Videos to Portray Delicate Human Actions

Despite recent progress, video generative models still struggle to animate static images into videos that portray delicate human actions, particularly when handling uncommon or novel actions whose training data are limited. In this paper, we explore the task of learning to animate images to portray delicate human actions using a small number of videos -- 16 or fewer -- which is highly valuable for real-world applications like video and movie production. Learning generalizable motion patterns that smoothly transition from user-provided reference images in a few-shot setting is highly challenging. We propose FLASH (Few-shot Learning to Animate and Steer Humans), which learns generalizable motion patterns by forcing the model to reconstruct a video using the motion features and cross-frame correspondences of another video with the same motion but different appearance. This encourages transferable motion learning and mitigates overfitting to limited training data. Additionally, FLASH extends the decoder with additional layers to propagate details from the reference image to generated frames, improving transition smoothness. Human judges overwhelmingly favor FLASH, with 65.78\% of 488 responses prefer FLASH over baselines. We strongly recommend watching the videos in the website: https://lihaoxin05.github.io/human_action_animation/, as motion artifacts are hard to notice from images.

  • 6 authors
·
Feb 28, 2025

Multimodal Masked Autoencoder Pre-training for 3D MRI-Based Brain Tumor Analysis with Missing Modalities

Multimodal magnetic resonance imaging (MRI) constitutes the first line of investigation for clinicians in the care of brain tumors, providing crucial insights for surgery planning, treatment monitoring, and biomarker identification. Pre-training on large datasets have been shown to help models learn transferable representations and adapt with minimal labeled data. This behavior is especially valuable in medical imaging, where annotations are often scarce. However, applying this paradigm to multimodal medical data introduces a challenge: most existing approaches assume that all imaging modalities are available during both pre-training and fine-tuning. In practice, missing modalities often occur due to acquisition issues, specialist unavailability, or specific experimental designs on small in-house datasets. Consequently, a common approach involves training a separate model for each desired modality combination, making the process both resource-intensive and impractical for clinical use. Therefore, we introduce BM-MAE, a masked image modeling pre-training strategy tailored for multimodal MRI data. The same pre-trained model seamlessly adapts to any combination of available modalities, extracting rich representations that capture both intra- and inter-modal information. This allows fine-tuning on any subset of modalities without requiring architectural changes, while still benefiting from a model pre-trained on the full set of modalities. Extensive experiments show that the proposed pre-training strategy outperforms or remains competitive with baselines that require separate pre-training for each modality subset, while substantially surpassing training from scratch on several downstream tasks. Additionally, it can quickly and efficiently reconstruct missing modalities, highlighting its practical value. Code and trained models are available at: https://github.com/Lucas-rbnt/BM-MAE

  • 3 authors
·
May 1, 2025

Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann distributions and transition densities. However, conventional MD is fundamentally limited by the high computational cost required to generate independent samples. Generative molecular dynamics (GenMD) has recently emerged as an alternative, learning surrogates of molecular distributions either from data or through interaction with energy models. While these methods enable efficient sampling, their transferability across molecular systems is often limited. In this work, we show that incorporating auxiliary sources of information can improve the data efficiency and generalization of transferable implicit transfer operators (TITO) for molecular dynamics. We find that coarse-grained TITO models are substantially more data-efficient than Boltzmann Emulators, and that incorporating protein language model (pLM) embeddings further improves out-of-distribution generalization. Our approach, PLaTITO, achieves state-of-the-art performance on equilibrium sampling benchmarks for out-of-distribution protein systems, including fast-folding proteins. We further study the impact of additional conditioning signals -- such as structural embeddings, temperature, and large-language-model-derived embeddings -- on model performance.

  • 4 authors
·
Feb 11

A Benchmark for Quantum Chemistry Relaxations via Machine Learning Interatomic Potentials

Computational quantum chemistry plays a critical role in drug discovery, chemical synthesis, and materials science. While first-principles methods, such as density functional theory (DFT), provide high accuracy in modeling electronic structures and predicting molecular properties, they are computationally expensive. Machine learning interatomic potentials (MLIPs) have emerged as promising surrogate models that aim to achieve DFT-level accuracy while enabling efficient large-scale atomistic simulations. The development of accurate and transferable MLIPs requires large-scale, high-quality datasets with both energy and force labels. Critically, MLIPs must generalize not only to stable geometries but also to intermediate, non-equilibrium conformations encountered during atomistic simulations. In this work, we introduce PubChemQCR, a large-scale dataset of molecular relaxation trajectories curated from the raw geometry optimization outputs of the PubChemQC project. PubChemQCR is the largest publicly available dataset of DFT-based relaxation trajectories for small organic molecules, comprising approximately 3.5 million trajectories and over 300 million molecular conformations computed at various levels of theory. Each conformation is labeled with both total energy and atomic forces, making the dataset suitable for training and evaluating MLIPs. To provide baselines for future developments, we benchmark nine representative MLIP models on the dataset. Our resources are publicly available at https://huggingface.co/divelab

  • 11 authors
·
Jun 28, 2025

Understanding the Role of Invariance in Transfer Learning

Transfer learning is a powerful technique for knowledge-sharing between different tasks. Recent work has found that the representations of models with certain invariances, such as to adversarial input perturbations, achieve higher performance on downstream tasks. These findings suggest that invariance may be an important property in the context of transfer learning. However, the relationship of invariance with transfer performance is not fully understood yet and a number of questions remain. For instance, how important is invariance compared to other factors of the pretraining task? How transferable is learned invariance? In this work, we systematically investigate the importance of representational invariance for transfer learning, as well as how it interacts with other parameters during pretraining. To do so, we introduce a family of synthetic datasets that allow us to precisely control factors of variation both in training and test data. Using these datasets, we a) show that for learning representations with high transfer performance, invariance to the right transformations is as, or often more, important than most other factors such as the number of training samples, the model architecture and the identity of the pretraining classes, b) show conditions under which invariance can harm the ability to transfer representations and c) explore how transferable invariance is between tasks. The code is available at https://github.com/tillspeicher/representation-invariance-transfer.

  • 3 authors
·
Jul 5, 2024

Guarding Barlow Twins Against Overfitting with Mixed Samples

Self-supervised Learning (SSL) aims to learn transferable feature representations for downstream applications without relying on labeled data. The Barlow Twins algorithm, renowned for its widespread adoption and straightforward implementation compared to its counterparts like contrastive learning methods, minimizes feature redundancy while maximizing invariance to common corruptions. Optimizing for the above objective forces the network to learn useful representations, while avoiding noisy or constant features, resulting in improved downstream task performance with limited adaptation. Despite Barlow Twins' proven effectiveness in pre-training, the underlying SSL objective can inadvertently cause feature overfitting due to the lack of strong interaction between the samples unlike the contrastive learning approaches. From our experiments, we observe that optimizing for the Barlow Twins objective doesn't necessarily guarantee sustained improvements in representation quality beyond a certain pre-training phase, and can potentially degrade downstream performance on some datasets. To address this challenge, we introduce Mixed Barlow Twins, which aims to improve sample interaction during Barlow Twins training via linearly interpolated samples. This results in an additional regularization term to the original Barlow Twins objective, assuming linear interpolation in the input space translates to linearly interpolated features in the feature space. Pre-training with this regularization effectively mitigates feature overfitting and further enhances the downstream performance on CIFAR-10, CIFAR-100, TinyImageNet, STL-10, and ImageNet datasets. The code and checkpoints are available at: https://github.com/wgcban/mix-bt.git

  • 3 authors
·
Dec 4, 2023

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

MindGYM: Enhancing Vision-Language Models via Synthetic Self-Challenging Questions

Large vision-language models (VLMs) face challenges in achieving robust, transferable reasoning abilities due to reliance on labor-intensive manual instruction datasets or computationally expensive self-supervised methods. To address these issues, we introduce MindGYM, a framework that enhances VLMs through synthetic self-challenging questions, consisting of three stages: (1) Seed Single-Hop Question Synthesis, generating cognitive questions across textual (e.g., logical deduction) and multimodal contexts (e.g., diagram-based queries) spanning eight semantic areas like ethical analysis; (2) Challenging Multi-Hop Question Synthesis, combining seed questions via diverse principles like bridging, visual-textual alignment, to create multi-step problems demanding deeper reasoning; and (3) Thinking-Induced Curriculum Fine-Tuning, a structured pipeline that progressively trains the model from scaffolded reasoning to standalone inference. By leveraging the model's self-synthesis capability, MindGYM achieves high data efficiency (e.g., +16% gains on MathVision-Mini with only 400 samples), computational efficiency (reducing both training and inference costs), and robust generalization across tasks. Extensive evaluations on seven benchmarks demonstrate superior performance over strong baselines, with notable improvements (+15.77% win rates) in reasoning depth and breadth validated via GPT-based scoring. MindGYM underscores the viability of self-challenging for refining VLM capabilities while minimizing human intervention and resource demands. Code and data are released to advance multimodal reasoning research.

  • 5 authors
·
Mar 12, 2025

Critique-Coder: Enhancing Coder Models by Critique Reinforcement Learning

Reinforcement Learning (RL) has emerged as a popular training paradigm, particularly when paired with reasoning models. While effective, it primarily focuses on generating responses and lacks mechanisms to explicitly foster critique or reflection. Several recent studies, like Critique-Fine-Tuning (CFT) and Critique-Guided-Distillation (CGD) have shown the benefits of explicitly teaching LLMs how to critique. Motivated by them, we propose Critique Reinforcement Learning (CRL), where the model is tasked with generating a critique for a given (question, solution) pair. The reward is determined solely by whether the final judgment label c in {True, False} of the generated critique aligns with the ground-truth judgment c^*. Building on this point, we introduce Critique-Coder, which is trained on a hybrid of RL and CRL by substituting 20\% of the standard RL data with CRL data. We fine-tune multiple models (Critique-Coder) and evaluate them on different benchmarks to show their advantages over RL-only models. We show that Critique-Coder consistently outperforms RL-only baselines on all the evaluated benchmarks. Notably, our Critique-Coder-8B can reach over 60\% on LiveCodeBench (v5), outperforming other reasoning models like DeepCoder-14B and GPT-o1. Beyond code generation, Critique-Coder also demonstrates enhanced general reasoning abilities, as evidenced by its better performance on logic reasoning tasks from the BBEH dataset. This indicates that the application of CRL on coding datasets enhances general reasoning and critique abilities, which are transferable across a broad range of tasks. Hence, we believe that CRL works as a great complement to standard RL for LLM reasoning.

TIGER-Lab TIGER-Lab
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Sep 26, 2025 2

Contrastive Learning of Musical Representations

While deep learning has enabled great advances in many areas of music, labeled music datasets remain especially hard, expensive, and time-consuming to create. In this work, we introduce SimCLR to the music domain and contribute a large chain of audio data augmentations to form a simple framework for self-supervised, contrastive learning of musical representations: CLMR. This approach works on raw time-domain music data and requires no labels to learn useful representations. We evaluate CLMR in the downstream task of music classification on the MagnaTagATune and Million Song datasets and present an ablation study to test which of our music-related innovations over SimCLR are most effective. A linear classifier trained on the proposed representations achieves a higher average precision than supervised models on the MagnaTagATune dataset, and performs comparably on the Million Song dataset. Moreover, we show that CLMR's representations are transferable using out-of-domain datasets, indicating that our method has strong generalisability in music classification. Lastly, we show that the proposed method allows data-efficient learning on smaller labeled datasets: we achieve an average precision of 33.1% despite using only 259 labeled songs in the MagnaTagATune dataset (1% of the full dataset) during linear evaluation. To foster reproducibility and future research on self-supervised learning in music, we publicly release the pre-trained models and the source code of all experiments of this paper.

  • 2 authors
·
Mar 16, 2021

Revisiting Model Inversion Evaluation: From Misleading Standards to Reliable Privacy Assessment

Model Inversion (MI) attacks aim to reconstruct information from private training data by exploiting access to machine learning models T. To evaluate such attacks, the standard evaluation framework relies on an evaluation model E, trained under the same task design as T. This framework has become the de facto standard for assessing progress in MI research, used across nearly all recent MI studies without question. In this paper, we present the first in-depth study of this evaluation framework. In particular, we identify a critical issue of this standard framework: Type-I adversarial examples. These are reconstructions that do not capture the visual features of private training data, yet are still deemed successful by T and ultimately transferable to E. Such false positives undermine the reliability of the standard MI evaluation framework. To address this issue, we introduce a new MI evaluation framework that replaces the evaluation model E with advanced Multimodal Large Language Models (MLLMs). By leveraging their general-purpose visual understanding, our MLLM-based framework does not depend on training of shared task design as in T, thus reducing Type-I transferability and providing more faithful assessments of reconstruction success. Using our MLLM-based evaluation framework, we reevaluate 27 diverse MI attack setups and empirically reveal consistently high false positive rates under the standard evaluation framework. Importantly, we demonstrate that many state-of-the-art (SOTA) MI methods report inflated attack accuracy, indicating that actual privacy leakage is significantly lower than previously believed. By uncovering this critical issue and proposing a robust solution, our work enables a reassessment of progress in MI research and sets a new standard for reliable and robust evaluation. Code can be found in https://github.com/hosytuyen/MI-Eval-MLLM

  • 5 authors
·
May 6, 2025

PitVis-2023 Challenge: Workflow Recognition in videos of Endoscopic Pituitary Surgery

The field of computer vision applied to videos of minimally invasive surgery is ever-growing. Workflow recognition pertains to the automated recognition of various aspects of a surgery: including which surgical steps are performed; and which surgical instruments are used. This information can later be used to assist clinicians when learning the surgery; during live surgery; and when writing operation notes. The Pituitary Vision (PitVis) 2023 Challenge tasks the community to step and instrument recognition in videos of endoscopic pituitary surgery. This is a unique task when compared to other minimally invasive surgeries due to the smaller working space, which limits and distorts vision; and higher frequency of instrument and step switching, which requires more precise model predictions. Participants were provided with 25-videos, with results presented at the MICCAI-2023 conference as part of the Endoscopic Vision 2023 Challenge in Vancouver, Canada, on 08-Oct-2023. There were 18-submissions from 9-teams across 6-countries, using a variety of deep learning models. A commonality between the top performing models was incorporating spatio-temporal and multi-task methods, with greater than 50% and 10% macro-F1-score improvement over purely spacial single-task models in step and instrument recognition respectively. The PitVis-2023 Challenge therefore demonstrates state-of-the-art computer vision models in minimally invasive surgery are transferable to a new dataset, with surgery specific techniques used to enhance performance, progressing the field further. Benchmark results are provided in the paper, and the dataset is publicly available at: https://doi.org/10.5522/04/26531686.

  • 32 authors
·
Sep 2, 2024

Brainstacks: Cross-Domain Cognitive Capabilities via Frozen MoE-LoRA Stacks for Continual LLM Learning

We present Brainstacks, a modular architecture for continual multi-domain fine-tuning of large language models that packages domain expertise as frozen adapter stacks composing additively on a shared frozen base at inference. Five interlocking components: (1) MoE-LoRA with Shazeer-style noisy top-2 routing across all seven transformer projections under QLoRA 4-bit quantization with rsLoRA scaling; (2) an inner loop performing residual boosting by freezing trained stacks and adding new ones; (3) an outer loop training sequential domain-specific stacks with curriculum-ordered dependencies; (4) null-space projection via randomized SVD constraining new stacks to subspaces orthogonal to prior directions, achieving zero forgetting in isolation; (5) an outcome-based sigmoid meta-router trained on empirically discovered domain-combination targets that selectively weights stacks, enabling cross-domain composition. Two boundary experiments: (6) PSN pretraining on a randomly initialized model; (7) per-domain RL (DPO/GRPO) validating compatibility with post-SFT alignment. Validated on TinyLlama-1.1B (4 domains, 9 stacks) and Gemma 3 12B IT (5 domains, 10 stacks), MoE-LoRA achieves 2.5x faster convergence than parameter-matched single LoRA, residual boosting breaks through the single-stack ceiling, and the routed system recovers generation quality destroyed by ungated stack accumulation. The central finding: the outcome-based router discovers that domain stacks encode transferable cognitive primitives (instruction-following clarity, numerical reasoning, procedural logic, chain-of-thought structure) rather than domain-specific knowledge, with medical prompts routing to chat+math stacks in 97% of cases despite zero medical data in those stacks.

BrainsBuild BrainsBuild
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Apr 1 4

Causal Attribution of Coastal Water Clarity Degradation to Nickel Processing Expansion at the Indonesia Morowali Industrial Park, Sulawesi

Indonesia's nickel ore export ban has driven rapid expansion of smelting and hydrometallurgical processing capacity at the Indonesia Morowali Industrial Park (IMIP), now the world's largest integrated nickel processing complex, on the coast of Central Sulawesi. Whether this industrialization has degraded the adjacent marine environment remains unquantified. We apply Bayesian structural time-series (BSTS) causal inference to a multi-decadal, multi-sensor satellite ocean color record of the diffuse attenuation coefficient at 490 nm, K_d(490), to test for a causal link between IMIP expansion and nearshore turbidity change. A consensus structural breakpoint, a significant posterior causal effect estimated against a Banda Sea counterfactual, and a distribution-free placebo rank test collectively establish that coastal water clarity deteriorated after the transition from initial nickel pig iron production to hyper-expansion of high-pressure acid leaching facilities for battery-grade nickel. Satellite-derived land cover analysis independently corroborates this timing, showing substantial built-area growth and concurrent tree cover loss within the IMIP footprint. The resulting euphotic zone shoaling occurs in oligotrophic waters supporting high marine biodiversity, where even moderate optical degradation may impair coral photosynthesis and compress depth-dependent reef habitat. These findings quantify a marine environmental cost absent from Indonesia's mineral downstreaming policy discourse and demonstrate a transferable, satellite-based quasi-experimental framework for causal impact assessment at coastal industrial sites in data-limited tropical settings.

Prototype Learning to Create Refined Interpretable Digital Phenotypes from ECGs

Prototype-based neural networks offer interpretable predictions by comparing inputs to learned, representative signal patterns anchored in training data. While such models have shown promise in the classification of physiological data, it remains unclear whether their prototypes capture an underlying structure that aligns with broader clinical phenotypes. We use a prototype-based deep learning model trained for multi-label ECG classification using the PTB-XL dataset. Then without modification we performed inference on the MIMIC-IV clinical database. We assess whether individual prototypes, trained solely for classification, are associated with hospital discharge diagnoses in the form of phecodes in this external population. Individual prototypes demonstrate significantly stronger and more specific associations with clinical outcomes compared to the classifier's class predictions, NLP-extracted concepts, or broader prototype classes across all phecode categories. Prototype classes with mixed significance patterns exhibit significantly greater intra-class distances (p < 0.0001), indicating the model learned to differentiate clinically meaningful variations within diagnostic categories. The prototypes achieve strong predictive performance across diverse conditions, with AUCs ranging from 0.89 for atrial fibrillation to 0.91 for heart failure, while also showing substantial signal for non-cardiac conditions such as sepsis and renal disease. These findings suggest that prototype-based models can support interpretable digital phenotyping from physiologic time-series data, providing transferable intermediate phenotypes that capture clinically meaningful physiologic signatures beyond their original training objectives.

  • 6 authors
·
Aug 2, 2025

STDA-Meta: A Meta-Learning Framework for Few-Shot Traffic Prediction

As the development of cities, traffic congestion becomes an increasingly pressing issue, and traffic prediction is a classic method to relieve that issue. Traffic prediction is one specific application of spatio-temporal prediction learning, like taxi scheduling, weather prediction, and ship trajectory prediction. Against these problems, classical spatio-temporal prediction learning methods including deep learning, require large amounts of training data. In reality, some newly developed cities with insufficient sensors would not hold that assumption, and the data scarcity makes predictive performance worse. In such situation, the learning method on insufficient data is known as few-shot learning (FSL), and the FSL of traffic prediction remains challenges. On the one hand, graph structures' irregularity and dynamic nature of graphs cannot hold the performance of spatio-temporal learning method. On the other hand, conventional domain adaptation methods cannot work well on insufficient training data, when transferring knowledge from different domains to the intended target domain.To address these challenges, we propose a novel spatio-temporal domain adaptation (STDA) method that learns transferable spatio-temporal meta-knowledge from data-sufficient cities in an adversarial manner. This learned meta-knowledge can improve the prediction performance of data-scarce cities. Specifically, we train the STDA model using a Model-Agnostic Meta-Learning (MAML) based episode learning process, which is a model-agnostic meta-learning framework that enables the model to solve new learning tasks using only a small number of training samples. We conduct numerous experiments on four traffic prediction datasets, and our results show that the prediction performance of our model has improved by 7\% compared to baseline models on the two metrics of MAE and RMSE.

  • 5 authors
·
Oct 31, 2023

VisualCloze: A Universal Image Generation Framework via Visual In-Context Learning

Recent progress in diffusion models significantly advances various image generation tasks. However, the current mainstream approach remains focused on building task-specific models, which have limited efficiency when supporting a wide range of different needs. While universal models attempt to address this limitation, they face critical challenges, including generalizable task instruction, appropriate task distributions, and unified architectural design. To tackle these challenges, we propose VisualCloze, a universal image generation framework, which supports a wide range of in-domain tasks, generalization to unseen ones, unseen unification of multiple tasks, and reverse generation. Unlike existing methods that rely on language-based task instruction, leading to task ambiguity and weak generalization, we integrate visual in-context learning, allowing models to identify tasks from visual demonstrations. Meanwhile, the inherent sparsity of visual task distributions hampers the learning of transferable knowledge across tasks. To this end, we introduce Graph200K, a graph-structured dataset that establishes various interrelated tasks, enhancing task density and transferable knowledge. Furthermore, we uncover that our unified image generation formulation shared a consistent objective with image infilling, enabling us to leverage the strong generative priors of pre-trained infilling models without modifying the architectures.

  • 8 authors
·
Apr 10, 2025 3

Improving CLIP Training with Language Rewrites

Contrastive Language-Image Pre-training (CLIP) stands as one of the most effective and scalable methods for training transferable vision models using paired image and text data. CLIP models are trained using contrastive loss, which typically relies on data augmentations to prevent overfitting and shortcuts. However, in the CLIP training paradigm, data augmentations are exclusively applied to image inputs, while language inputs remain unchanged throughout the entire training process, limiting the exposure of diverse texts to the same image. In this paper, we introduce Language augmented CLIP (LaCLIP), a simple yet highly effective approach to enhance CLIP training through language rewrites. Leveraging the in-context learning capability of large language models, we rewrite the text descriptions associated with each image. These rewritten texts exhibit diversity in sentence structure and vocabulary while preserving the original key concepts and meanings. During training, LaCLIP randomly selects either the original texts or the rewritten versions as text augmentations for each image. Extensive experiments on CC3M, CC12M, RedCaps and LAION-400M datasets show that CLIP pre-training with language rewrites significantly improves the transfer performance without computation or memory overhead during training. Specifically for ImageNet zero-shot accuracy, LaCLIP outperforms CLIP by 8.2% on CC12M and 2.4% on LAION-400M. Code is available at https://github.com/LijieFan/LaCLIP.

  • 5 authors
·
May 31, 2023 1