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Jun 18

PRDP: Proximal Reward Difference Prediction for Large-Scale Reward Finetuning of Diffusion Models

Reward finetuning has emerged as a promising approach to aligning foundation models with downstream objectives. Remarkable success has been achieved in the language domain by using reinforcement learning (RL) to maximize rewards that reflect human preference. However, in the vision domain, existing RL-based reward finetuning methods are limited by their instability in large-scale training, rendering them incapable of generalizing to complex, unseen prompts. In this paper, we propose Proximal Reward Difference Prediction (PRDP), enabling stable black-box reward finetuning for diffusion models for the first time on large-scale prompt datasets with over 100K prompts. Our key innovation is the Reward Difference Prediction (RDP) objective that has the same optimal solution as the RL objective while enjoying better training stability. Specifically, the RDP objective is a supervised regression objective that tasks the diffusion model with predicting the reward difference of generated image pairs from their denoising trajectories. We theoretically prove that the diffusion model that obtains perfect reward difference prediction is exactly the maximizer of the RL objective. We further develop an online algorithm with proximal updates to stably optimize the RDP objective. In experiments, we demonstrate that PRDP can match the reward maximization ability of well-established RL-based methods in small-scale training. Furthermore, through large-scale training on text prompts from the Human Preference Dataset v2 and the Pick-a-Pic v1 dataset, PRDP achieves superior generation quality on a diverse set of complex, unseen prompts whereas RL-based methods completely fail.

  • 5 authors
·
Feb 13, 2024 1

Inference-Time Alignment Control for Diffusion Models with Reinforcement Learning Guidance

Denoising-based generative models, particularly diffusion and flow matching algorithms, have achieved remarkable success. However, aligning their output distributions with complex downstream objectives, such as human preferences, compositional accuracy, or data compressibility, remains challenging. While reinforcement learning (RL) fine-tuning methods, inspired by advances in RL from human feedback (RLHF) for large language models, have been adapted to these generative frameworks, current RL approaches are suboptimal for diffusion models and offer limited flexibility in controlling alignment strength after fine-tuning. In this work, we reinterpret RL fine-tuning for diffusion models through the lens of stochastic differential equations and implicit reward conditioning. We introduce Reinforcement Learning Guidance (RLG), an inference-time method that adapts Classifier-Free Guidance (CFG) by combining the outputs of the base and RL fine-tuned models via a geometric average. Our theoretical analysis shows that RLG's guidance scale is mathematically equivalent to adjusting the KL-regularization coefficient in standard RL objectives, enabling dynamic control over the alignment-quality trade-off without further training. Extensive experiments demonstrate that RLG consistently improves the performance of RL fine-tuned models across various architectures, RL algorithms, and downstream tasks, including human preferences, compositional control, compressibility, and text rendering. Furthermore, RLG supports both interpolation and extrapolation, thereby offering unprecedented flexibility in controlling generative alignment. Our approach provides a practical and theoretically sound solution for enhancing and controlling diffusion model alignment at inference. The source code for RLG is publicly available at the Github: https://github.com/jinluo12345/Reinforcement-learning-guidance.

  • 8 authors
·
Aug 28, 2025

Speaking the Language of Science: Toward a General-Purpose Generative Foundation Model for the Natural Sciences

In this report, we present LOGOS (Language Of Generative Objects in Science), a scientific generative language model that unifies heterogeneous tasks across the natural sciences within a single autoregressive framework based on a shared scientific grammar. It encodes diverse scientific objects and their spatial interactions as token sequences over a common vocabulary. By representing spatial contact and constraint patterns as discrete tokens, the model captures complex structural interactions in a purely sequential manner, without relying on explicit coordinates or geometric neural networks. This unified representation enables a wide range of downstream tasks to be formulated consistently as next-token prediction in the same grammar space, creating strong alignment between continued multi-domain pre-training and downstream objectives. Across diverse tasks, LOGOS consistently matches or outperforms domain-specific baselines, providing preliminary evidence for the feasibility of "one model fits all" in the natural sciences. We train LOGOS models at different scales (1B, 3B, and 8B parameters) and find a consistent positive correlation between model size and performance. This suggests that the future of AI for Science (AI4S) may not lie in building an independent technical stack that is separated from large language models (LLMs). Instead, it may depend on deeply aligning scientific foundation models with LLMs through shared architectures, shared training paradigms, and shared inference infrastructure, so that LLMs can truly become a new entry point for AI4S. We release the model weights and associated resources to facilitate further research.

LOGOS-Hub LOGOS-Hub
·
Jun 14 1

TrajTok: Learning Trajectory Tokens enables better Video Understanding

Tokenization in video models, typically through patchification, generates an excessive and redundant number of tokens. This severely limits video efficiency and scalability. While recent trajectory-based tokenizers offer a promising solution by decoupling video duration from token count, they rely on complex external segmentation and tracking pipelines that are slow and task-agnostic. We propose TrajTok, an end-to-end video tokenizer module that is fully integrated and co-trained with video models for a downstream objective, dynamically adapting its token granularity to semantic complexity, independent of video duration. TrajTok contains a unified segmenter that performs implicit clustering over pixels in both space and time to directly produce object trajectories in a single forward pass. By prioritizing downstream adaptability over pixel-perfect segmentation fidelity, TrajTok is lightweight and efficient, yet empirically improves video understanding performance. With TrajTok, we implement a video CLIP model trained from scratch (TrajViT2). It achieves the best accuracy at scale across both classification and retrieval benchmarks, while maintaining efficiency comparable to the best token-merging methods. TrajTok also proves to be a versatile component beyond its role as a tokenizer. We show that it can be seamlessly integrated as either a probing head for pretrained visual features (TrajAdapter) or an alignment connector in vision-language models (TrajVLM) with especially strong performance in long-video reasoning.

  • 9 authors
·
Feb 26

TransactionGPT

We present TransactionGPT (TGPT), a foundation model for consumer transaction data within one of world's largest payment networks. TGPT is designed to understand and generate transaction trajectories while simultaneously supporting a variety of downstream prediction and classification tasks. We introduce a novel 3D-Transformer architecture specifically tailored for capturing the complex dynamics in payment transaction data. This architecture incorporates design innovations that enhance modality fusion and computational efficiency, while seamlessly enabling joint optimization with downstream objectives. Trained on billion-scale real-world transactions, TGPT significantly improves downstream classification performance against a competitive production model and exhibits advantages over baselines in generating future transactions. We conduct extensive empirical evaluations utilizing a diverse collection of company transaction datasets spanning multiple downstream tasks, thereby enabling a thorough assessment of TGPT's effectiveness and efficiency in comparison to established methodologies. Furthermore, we examine the incorporation of LLM-derived embeddings within TGPT and benchmark its performance against fine-tuned LLMs, demonstrating that TGPT achieves superior predictive accuracy as well as faster training and inference. We anticipate that the architectural innovations and practical guidelines from this work will advance foundation models for transaction-like data and catalyze future research in this emerging field.

  • 27 authors
·
Nov 11, 2025

Tem-adapter: Adapting Image-Text Pretraining for Video Question Answer

Video-language pre-trained models have shown remarkable success in guiding video question-answering (VideoQA) tasks. However, due to the length of video sequences, training large-scale video-based models incurs considerably higher costs than training image-based ones. This motivates us to leverage the knowledge from image-based pretraining, despite the obvious gaps between image and video domains. To bridge these gaps, in this paper, we propose Tem-Adapter, which enables the learning of temporal dynamics and complex semantics by a visual Temporal Aligner and a textual Semantic Aligner. Unlike conventional pretrained knowledge adaptation methods that only concentrate on the downstream task objective, the Temporal Aligner introduces an extra language-guided autoregressive task aimed at facilitating the learning of temporal dependencies, with the objective of predicting future states based on historical clues and language guidance that describes event progression. Besides, to reduce the semantic gap and adapt the textual representation for better event description, we introduce a Semantic Aligner that first designs a template to fuse question and answer pairs as event descriptions and then learns a Transformer decoder with the whole video sequence as guidance for refinement. We evaluate Tem-Adapter and different pre-train transferring methods on two VideoQA benchmarks, and the significant performance improvement demonstrates the effectiveness of our method.

  • 7 authors
·
Aug 16, 2023

Policy-Gradient Training of Language Models for Ranking

Text retrieval plays a crucial role in incorporating factual knowledge for decision making into language processing pipelines, ranging from chat-based web search to question answering systems. Current state-of-the-art text retrieval models leverage pre-trained large language models (LLMs) to achieve competitive performance, but training LLM-based retrievers via typical contrastive losses requires intricate heuristics, including selecting hard negatives and using additional supervision as learning signals. This reliance on heuristics stems from the fact that the contrastive loss itself is heuristic and does not directly optimize the downstream metrics of decision quality at the end of the processing pipeline. To address this issue, we introduce Neural PG-RANK, a novel training algorithm that learns to rank by instantiating a LLM as a Plackett-Luce ranking policy. Neural PG-RANK provides a principled method for end-to-end training of retrieval models as part of larger decision systems via policy gradient, with little reliance on complex heuristics, and it effectively unifies the training objective with downstream decision-making quality. We conduct extensive experiments on various text retrieval benchmarks. The results demonstrate that when the training objective aligns with the evaluation setup, Neural PG-RANK yields remarkable in-domain performance improvement, with substantial out-of-domain generalization to some critical datasets employed in downstream question answering tasks.

  • 5 authors
·
Oct 6, 2023

GORACS: Group-level Optimal Transport-guided Coreset Selection for LLM-based Recommender Systems

Although large language models (LLMs) have shown great potential in recommender systems, the prohibitive computational costs for fine-tuning LLMs on entire datasets hinder their successful deployment in real-world scenarios. To develop affordable and effective LLM-based recommender systems, we focus on the task of coreset selection which identifies a small subset of fine-tuning data to optimize the test loss, thereby facilitating efficient LLMs' fine-tuning. Although there exist some intuitive solutions of subset selection, including distribution-based and importance-based approaches, they often lead to suboptimal performance due to the misalignment with downstream fine-tuning objectives or weak generalization ability caused by individual-level sample selection. To overcome these challenges, we propose GORACS, which is a novel Group-level Optimal tRAnsport-guided Coreset Selection framework for LLM-based recommender systems. GORACS is designed based on two key principles for coreset selection: 1) selecting the subsets that minimize the test loss to align with fine-tuning objectives, and 2) enhancing model generalization through group-level data selection. Corresponding to these two principles, GORACS has two key components: 1) a Proxy Optimization Objective (POO) leveraging optimal transport and gradient information to bound the intractable test loss, thus reducing computational costs by avoiding repeated LLM retraining, and 2) a two-stage Initialization-Then-Refinement Algorithm (ITRA) for efficient group-level selection. Our extensive experiments across diverse recommendation datasets and tasks validate that GORACS significantly reduces fine-tuning costs of LLMs while achieving superior performance over the state-of-the-art baselines and full data training. The source code of GORACS are available at https://github.com/Mithas-114/GORACS.

  • 5 authors
·
Jun 4, 2025

EEG-FM-Bench: A Comprehensive Benchmark for the Systematic Evaluation of EEG Foundation Models

Electroencephalography foundation models (EEG-FMs) have advanced brain signal analysis, but the lack of standardized evaluation benchmarks impedes model comparison and scientific progress. Current evaluations rely on inconsistent protocols that render cross-model comparisons unreliable, while a lack of diagnostic analyses obscures the internal mechanisms driving transfer efficiency and scaling behaviors. To address this, we introduce EEG-FM-Bench, a unified system for the standardized evaluation of EEG-FMs. The benchmark integrates 14 datasets across 10 paradigms and incorporates diverse experimental settings, including multiple fine-tuning strategies, task organizations, and classifier configurations, supported by tools for gradient and representation analysis. Our experiments and analysis reveal several critical insights: (1) multi-task learning acts as a critical regularizer to mitigate overfitting in data-scarce EEG contexts; (2) pre-training efficiency is currently limited by gradient conflicts between reconstruction objectives and downstream tasks; (3) model scaling deviates from typical laws, as compact architectures with domain-specific inductive biases consistently outperform significantly larger models. This benchmark enables fair comparison and reproducible analysis, shifting the field from fragmented results to interpretable advances. Code is available at https://github.com/xw1216/EEG-FM-Bench.

  • 5 authors
·
Feb 12

Multi-Objective Fine-Tuning for Enhanced Program Repair with LLMs

Large language models (LLMs) have demonstrated remarkable capabilities on a broad spectrum of downstream tasks. Within the realm of software engineering, specialized tasks on code, such as program repair, present unique challenges, necessitating fine-tuning to unlock state-of-the-art performance. Fine-tuning approaches proposed in the literature for LLMs on program repair tasks are however generally overlooking the need to reason about the logic behind code changes, beyond syntactic patterns in the data. High-performing fine-tuning experiments also usually come at very high computational costs. With MORepair, we propose a novel perspective on the learning focus of LLM fine-tuning for program repair: we not only adapt the LLM parameters to the syntactic nuances of the task of code transformation (objective 1), but we also specifically fine-tune the LLM with respect to the logical reason behind the code change in the training data (objective 2). Such a multi-objective fine-tuning will instruct LLMs to generate high-quality patches. We apply MORepair to fine-tune four open-source LLMs with different sizes and architectures. Experimental results on C++ and Java repair benchmarks show that the implemented fine-tuning effectively boosts LLM repair performance by 7.6% to 10% in Top-10 repair suggestions. We further show that our fine-tuning strategy yields superior performance compared to the incumbent state-of-the-art in fine-tuned models for program repair, Fine-tune-CoT and RepairLLaMA.

  • 8 authors
·
Apr 19, 2024 1

Value-Based Pre-Training with Downstream Feedback

Can a small amount of verified goal information steer the expensive self-supervised pretraining of foundation models? Standard pretraining optimizes a fixed proxy objective (e.g., next-token prediction), which can misallocate compute away from downstream capabilities of interest. We introduce V-Pretraining: a value-based, modality-agnostic method for controlled continued pretraining in which a lightweight task designer reshapes the pretraining task to maximize the value of each gradient step. For example, consider self-supervised learning (SSL) with sample augmentation. The V-Pretraining task designer selects pretraining tasks (e.g., augmentations) for which the pretraining loss gradient is aligned with a gradient computed over a downstream task (e.g., image segmentation). This helps steer pretraining towards relevant downstream capabilities. Notably, the pretrained model is never updated on downstream task labels; they are used only to shape the pretraining task. Under matched learner update budgets, V-Pretraining of 0.5B--7B language models improves reasoning (GSM8K test Pass@1) by up to 18% relative over standard next-token prediction using only 12% of GSM8K training examples as feedback. In vision SSL, we improve the state-of-the-art results on ADE20K by up to 1.07 mIoU and reduce NYUv2 RMSE while improving ImageNet linear accuracy, and we provide pilot evidence of improved token efficiency in continued pretraining.

Detecting automatically the layout of clinical documents to enhance the performances of downstream natural language processing

Objective:Develop and validate an algorithm for analyzing the layout of PDF clinical documents to improve the performance of downstream natural language processing tasks. Materials and Methods: We designed an algorithm to process clinical PDF documents and extract only clinically relevant text. The algorithm consists of several steps: initial text extraction using a PDF parser, followed by classification into categories such as body text, left notes, and footers using a Transformer deep neural network architecture, and finally an aggregation step to compile the lines of a given label in the text. We evaluated the technical performance of the body text extraction algorithm by applying it to a random sample of documents that were annotated. Medical performance was evaluated by examining the extraction of medical concepts of interest from the text in their respective sections. Finally, we tested an end-to-end system on a medical use case of automatic detection of acute infection described in the hospital report. Results:Our algorithm achieved per-line precision, recall, and F1 score of 98.4, 97.0, and 97.7, respectively, for body line extraction. The precision, recall, and F1 score per document for the acute infection detection algorithm were 82.54 (95CI 72.86-91.60), 85.24 (95CI 76.61-93.70), 83.87 (95CI 76, 92-90.08) with exploitation of the results of the advanced body extraction algorithm, respectively. Conclusion:We have developed and validated a system for extracting body text from clinical documents in PDF format by identifying their layout. We were able to demonstrate that this preprocessing allowed us to obtain better performances for a common downstream task, i.e., the extraction of medical concepts in their respective sections, thus proving the interest of this method on a clinical use case.

  • 7 authors
·
May 23, 2023

Objective Mismatch in Model-based Reinforcement Learning

Model-based reinforcement learning (MBRL) has been shown to be a powerful framework for data-efficiently learning control of continuous tasks. Recent work in MBRL has mostly focused on using more advanced function approximators and planning schemes, with little development of the general framework. In this paper, we identify a fundamental issue of the standard MBRL framework -- what we call the objective mismatch issue. Objective mismatch arises when one objective is optimized in the hope that a second, often uncorrelated, metric will also be optimized. In the context of MBRL, we characterize the objective mismatch between training the forward dynamics model w.r.t.~the likelihood of the one-step ahead prediction, and the overall goal of improving performance on a downstream control task. For example, this issue can emerge with the realization that dynamics models effective for a specific task do not necessarily need to be globally accurate, and vice versa globally accurate models might not be sufficiently accurate locally to obtain good control performance on a specific task. In our experiments, we study this objective mismatch issue and demonstrate that the likelihood of one-step ahead predictions is not always correlated with control performance. This observation highlights a critical limitation in the MBRL framework which will require further research to be fully understood and addressed. We propose an initial method to mitigate the mismatch issue by re-weighting dynamics model training. Building on it, we conclude with a discussion about other potential directions of research for addressing this issue.

  • 4 authors
·
Feb 11, 2020 1

Structural Self-Supervised Objectives for Transformers

This thesis focuses on improving the pre-training of natural language models using unsupervised raw data to make them more efficient and aligned with downstream applications. In the first part, we introduce three alternative pre-training objectives to BERT's Masked Language Modeling (MLM), namely Random Token Substitution (RTS), Cluster-based Random Token Substitution (C-RTS), and Swapped Language Modeling (SLM). These objectives involve token swapping instead of masking, with RTS and C-RTS aiming to predict token originality and SLM predicting the original token values. Results show that RTS and C-RTS require less pre-training time while maintaining performance comparable to MLM. Surprisingly, SLM outperforms MLM on certain tasks despite using the same computational budget. In the second part, we proposes self-supervised pre-training tasks that align structurally with downstream applications, reducing the need for labeled data. We use large corpora like Wikipedia and CC-News to train models to recognize if text spans originate from the same paragraph or document in several ways. By doing continuous pre-training, starting from existing models like RoBERTa, ELECTRA, DeBERTa, BART, and T5, we demonstrate significant performance improvements in tasks like Fact Verification, Answer Sentence Selection, and Summarization. These improvements are especially pronounced when limited annotation data is available. The proposed objectives also achieve state-of-the-art results on various benchmark datasets, including FEVER (dev set), ASNQ, WikiQA, and TREC-QA, as well as enhancing the quality of summaries. Importantly, these techniques can be easily integrated with other methods without altering the internal structure of Transformer models, making them versatile for various NLP applications.

  • 1 authors
·
Sep 15, 2023

The Alignment Ceiling: Objective Mismatch in Reinforcement Learning from Human Feedback

Reinforcement learning from human feedback (RLHF) has emerged as a powerful technique to make large language models (LLMs) more capable in complex settings. RLHF proceeds as collecting human preference data, training a reward model on said data, and optimizing a base ML model with respect to said reward for extrinsic evaluation metrics (e.g. MMLU, GSM8k). RLHF relies on many assumptions about how the various pieces fit together, such as a reward model capturing human preferences and an RL optimizer extracting the right signal from a reward model. As the RLHF process involves many distinct design decisions, it is easy to assume that multiple processes are correlated and therefore numerically linked. This apparent correlation is often not true, where reward models are easily overoptimized or RL optimizers can reduce performance on tasks not modeled in the data. Notable manifestations of models trained with imperfect RLHF systems are those that are prone to refusing basic requests for safety reasons or appearing lazy in generations. As chat model evaluation becomes increasingly nuanced, the reliance on a perceived link between reward model training, RL scores, and downstream performance drives these issues, which we describe as an objective mismatch. In this paper, we illustrate the causes of this issue, reviewing relevant literature from model-based reinforcement learning, and argue for solutions. By solving objective mismatch in RLHF, the ML models of the future will be more precisely aligned to user instructions for both safety and helpfulness.

  • 2 authors
·
Oct 31, 2023

Bag of Tricks for Effective Language Model Pretraining and Downstream Adaptation: A Case Study on GLUE

This technical report briefly describes our JDExplore d-team's submission Vega v1 on the General Language Understanding Evaluation (GLUE) leaderboard, where GLUE is a collection of nine natural language understanding tasks, including question answering, linguistic acceptability, sentiment analysis, text similarity, paraphrase detection, and natural language inference. [Method] We investigate several effective strategies and choose their best combination setting as the training recipes. As for model structure, we employ the vanilla Transformer with disentangled attention as the basic block encoder. For self-supervised training, we employ the representative denoising objective (i.e., replaced token detection) in phase 1 and combine the contrastive objective (i.e., sentence embedding contrastive learning) with it in phase 2. During fine-tuning, several advanced techniques such as transductive fine-tuning, self-calibrated fine-tuning, and adversarial fine-tuning are adopted. [Results] According to our submission record (Jan. 2022), with our optimized pretraining and fine-tuning strategies, our 1.3 billion model sets new state-of-the-art on 4/9 tasks, achieving the best average score of 91.3. Encouragingly, our Vega v1 is the first to exceed powerful human performance on the two challenging tasks, i.e., SST-2 and WNLI. We believe our empirically successful recipe with a bag of tricks could shed new light on developing efficient discriminative large language models.

  • 8 authors
·
Feb 18, 2023

What Language Model Architecture and Pretraining Objective Work Best for Zero-Shot Generalization?

Large pretrained Transformer language models have been shown to exhibit zero-shot generalization, i.e. they can perform a wide variety of tasks that they were not explicitly trained on. However, the architectures and pretraining objectives used across state-of-the-art models differ significantly, and there has been limited systematic comparison of these factors. In this work, we present a large-scale evaluation of modeling choices and their impact on zero-shot generalization. In particular, we focus on text-to-text models and experiment with three model architectures (causal/non-causal decoder-only and encoder-decoder), trained with two different pretraining objectives (autoregressive and masked language modeling), and evaluated with and without multitask prompted finetuning. We train models with over 5 billion parameters for more than 170 billion tokens, thereby increasing the likelihood that our conclusions will transfer to even larger scales. Our experiments show that causal decoder-only models trained on an autoregressive language modeling objective exhibit the strongest zero-shot generalization after purely unsupervised pretraining. However, models with non-causal visibility on their input trained with a masked language modeling objective followed by multitask finetuning perform the best among our experiments. We therefore consider the adaptation of pretrained models across architectures and objectives. We find that pretrained non-causal decoder models can be adapted into performant generative causal decoder models, using autoregressive language modeling as a downstream task. Furthermore, we find that pretrained causal decoder models can be efficiently adapted into non-causal decoder models, ultimately achieving competitive performance after multitask finetuning. Code and checkpoints are available at https://github.com/bigscience-workshop/architecture-objective.

  • 8 authors
·
Apr 12, 2022

Robustness of Graph Self-Supervised Learning to Real-World Noise: A Case Study on Text-Driven Biomedical Graphs

Graph Self-Supervised Learning (GSSL) offers a powerful paradigm for learning graph representations without labeled data. However, existing work assumes clean, manually curated graphs. Recent advances in NLP enable the large-scale automatic extraction of knowledge graphs from text, opening new opportunities for GSSL while introducing substantial real-world noise. This type of noise remains largely unexplored, as prior robustness studies typically rely on synthetic perturbations. To address this gap, we present the first comprehensive evaluation of GSSL methods on text-driven graphs for unsupervised term typing. We introduce Noise-Aware Text-Driven Graph GSSL (NATD-GSSL), a unified framework that combines automatic graph construction, graph refinement, and GSSL. Our evaluation follows a dual-graph protocol that contrasts a noisy graph derived from MedMentions with a clean Unified Medical Language System (UMLS) reference graph, aligned through a shared gold standard. Our results reveal variability in robustness across both pretext tasks and Graph Neural Network (GNN) architectures. Relation reconstruction is highly sensitive to noise and benefits from well-defined schemas, whereas feature reconstruction is considerably more robust, achieving performance comparable to clean-graph settings. Contrastive objectives are generally less affected by noise but depend strongly on alignment with downstream tasks. GNN architecture also plays a critical role: bidirectional relational message-passing designs are better suited to noisy, text-driven graphs, while unidirectional relational ones perform best on clean graphs. Overall, NATD-GSSL provides practical guidance for applying GSSL to real-world, noisy graphs and achieves up to a 7\% improvement over pretrained language model baselines. All code and benchmarks are publicly available at https://github.com/OthmaneKabal/MC2GAE.

  • 5 authors
·
May 5

OpenAVS: Training-Free Open-Vocabulary Audio Visual Segmentation with Foundational Models

Audio-visual segmentation aims to separate sounding objects from videos by predicting pixel-level masks based on audio signals. Existing methods primarily concentrate on closed-set scenarios and direct audio-visual alignment and fusion, which limits their capability to generalize to new, unseen situations. In this paper, we propose OpenAVS, a novel training-free language-based approach that, for the first time, effectively aligns audio and visual modalities using text as a proxy for open-vocabulary Audio-Visual Segmentation (AVS). Equipped with multimedia foundation models, OpenAVS directly infers masks through 1) audio-to-text prompt generation, 2) LLM-guided prompt translation, and 3) text-to-visual sounding object segmentation. The objective of OpenAVS is to establish a simple yet flexible architecture that relies on the most appropriate foundation models by fully leveraging their capabilities to enable more effective knowledge transfer to the downstream AVS task. Moreover, we present a model-agnostic framework OpenAVS-ST that enables the integration of OpenAVS with any advanced supervised AVS model via pseudo-label based self-training. This approach enhances performance by effectively utilizing large-scale unlabeled data when available. Comprehensive experiments on three benchmark datasets demonstrate the superior performance of OpenAVS. It surpasses existing unsupervised, zero-shot, and few-shot AVS methods by a significant margin, achieving absolute performance gains of approximately 9.4% and 10.9% in mIoU and F-score, respectively, in challenging scenarios.

  • 6 authors
·
Apr 29, 2025

Does Object Binding Naturally Emerge in Large Pretrained Vision Transformers?

Object binding, the brain's ability to bind the many features that collectively represent an object into a coherent whole, is central to human cognition. It groups low-level perceptual features into high-level object representations, stores those objects efficiently and compositionally in memory, and supports human reasoning about individual object instances. While prior work often imposes object-centric attention (e.g., Slot Attention) explicitly to probe these benefits, it remains unclear whether this ability naturally emerges in pre-trained Vision Transformers (ViTs). Intuitively, they could: recognizing which patches belong to the same object should be useful for downstream prediction and thus guide attention. Motivated by the quadratic nature of self-attention, we hypothesize that ViTs represent whether two patches belong to the same object, a property we term IsSameObject. We decode IsSameObject from patch embeddings across ViT layers using a similarity probe, which reaches over 90% accuracy. Crucially, this object-binding capability emerges reliably in self-supervised ViTs (DINO, MAE, CLIP), but markedly weaker in ImageNet-supervised models, suggesting that binding is not a trivial architectural artifact, but an ability acquired through specific pretraining objectives. We further discover that IsSameObject is encoded in a low-dimensional subspace on top of object features, and that this signal actively guides attention. Ablating IsSameObject from model activations degrades downstream performance and works against the learning objective, implying that emergent object binding naturally serves the pretraining objective. Our findings challenge the view that ViTs lack object binding and highlight how symbolic knowledge of "which parts belong together" emerges naturally in a connectionist system.

  • 4 authors
·
Oct 28, 2025

A Large-Scale Benchmark of Cross-Modal Learning for Histology and Gene Expression in Spatial Transcriptomics

Spatial transcriptomics enables simultaneous measurement of gene expression and tissue morphology, offering unprecedented insights into cellular organization and disease mechanisms. However, the field lacks comprehensive benchmarks for evaluating multimodal learning methods that leverage both histology images and gene expression data. Here, we present HESCAPE, a large-scale benchmark for cross-modal contrastive pretraining in spatial transcriptomics, built on a curated pan-organ dataset spanning 6 different gene panels and 54 donors. We systematically evaluated state-of-the-art image and gene expression encoders across multiple pretraining strategies and assessed their effectiveness on two downstream tasks: gene mutation classification and gene expression prediction. Our benchmark demonstrates that gene expression encoders are the primary determinant of strong representational alignment, and that gene models pretrained on spatial transcriptomics data outperform both those trained without spatial data and simple baseline approaches. However, downstream task evaluation reveals a striking contradiction: while contrastive pretraining consistently improves gene mutation classification performance, it degrades direct gene expression prediction compared to baseline encoders trained without cross-modal objectives. We identify batch effects as a key factor that interferes with effective cross-modal alignment. Our findings highlight the critical need for batch-robust multimodal learning approaches in spatial transcriptomics. To accelerate progress in this direction, we release HESCAPE, providing standardized datasets, evaluation protocols, and benchmarking tools for the community

  • 9 authors
·
Aug 2, 2025

ExPLoRA: Parameter-Efficient Extended Pre-Training to Adapt Vision Transformers under Domain Shifts

Parameter-efficient fine-tuning (PEFT) techniques such as low-rank adaptation (LoRA) can effectively adapt large pre-trained foundation models to downstream tasks using only a small fraction (0.1%-10%) of the original trainable weights. An under-explored question of PEFT is in extending the pre-training phase without supervised labels; that is, can we adapt a pre-trained foundation model to a new domain via efficient self-supervised pre-training on this domain? In this work, we introduce ExPLoRA, a highly effective technique to improve transfer learning of pre-trained vision transformers (ViTs) under domain shifts. Initializing a ViT with pre-trained weights on large, natural-image datasets such as from DinoV2 or MAE, ExPLoRA continues the unsupervised pre-training objective on a new domain, unfreezing 1-2 pre-trained ViT blocks and tuning all other layers with LoRA. We then fine-tune the resulting model only with LoRA on this new domain for supervised learning. Our experiments demonstrate state-of-the-art results on satellite imagery, even outperforming fully pre-training and fine-tuning ViTs. Using the DinoV2 training objective, we demonstrate up to 8% improvement in linear probing top-1 accuracy on downstream tasks while using <10% of the number of parameters that are used in prior fully-tuned state-of-the art approaches. Our ablation studies confirm the efficacy of our approach over other baselines such as PEFT. Code is available on the project website: https://samar-khanna.github.io/ExPLoRA/

  • 4 authors
·
Jun 16, 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

Dream-VL & Dream-VLA: Open Vision-Language and Vision-Language-Action Models with Diffusion Language Model Backbone

While autoregressive Large Vision-Language Models (VLMs) have achieved remarkable success, their sequential generation often limits their efficacy in complex visual planning and dynamic robotic control. In this work, we investigate the potential of constructing Vision-Language Models upon diffusion-based large language models (dLLMs) to overcome these limitations. We introduce Dream-VL, an open diffusion-based VLM (dVLM) that achieves state-of-the-art performance among previous dVLMs. Dream-VL is comparable to top-tier AR-based VLMs trained on open data on various benchmarks but exhibits superior potential when applied to visual planning tasks. Building upon Dream-VL, we introduce Dream-VLA, a dLLM-based Vision-Language-Action model (dVLA) developed through continuous pre-training on open robotic datasets. We demonstrate that the natively bidirectional nature of this diffusion backbone serves as a superior foundation for VLA tasks, inherently suited for action chunking and parallel generation, leading to significantly faster convergence in downstream fine-tuning. Dream-VLA achieves top-tier performance of 97.2% average success rate on LIBERO, 71.4% overall average on SimplerEnv-Bridge, and 60.5% overall average on SimplerEnv-Fractal, surpassing leading models such as π_0 and GR00T-N1. We also validate that dVLMs surpass AR baselines on downstream tasks across different training objectives. We release both Dream-VL and Dream-VLA to facilitate further research in the community.

Peek Across: Improving Multi-Document Modeling via Cross-Document Question-Answering

The integration of multi-document pre-training objectives into language models has resulted in remarkable improvements in multi-document downstream tasks. In this work, we propose extending this idea by pre-training a generic multi-document model from a novel cross-document question answering pre-training objective. To that end, given a set (or cluster) of topically-related documents, we systematically generate semantically-oriented questions from a salient sentence in one document and challenge the model, during pre-training, to answer these questions while "peeking" into other topically-related documents. In a similar manner, the model is also challenged to recover the sentence from which the question was generated, again while leveraging cross-document information. This novel multi-document QA formulation directs the model to better recover cross-text informational relations, and introduces a natural augmentation that artificially increases the pre-training data. Further, unlike prior multi-document models that focus on either classification or summarization tasks, our pre-training objective formulation enables the model to perform tasks that involve both short text generation (e.g., QA) and long text generation (e.g., summarization). Following this scheme, we pre-train our model -- termed QAmden -- and evaluate its performance across several multi-document tasks, including multi-document QA, summarization, and query-focused summarization, yielding improvements of up to 7%, and significantly outperforms zero-shot GPT-3.5 and GPT-4.

  • 5 authors
·
May 24, 2023

ViNT: A Foundation Model for Visual Navigation

General-purpose pre-trained models ("foundation models") have enabled practitioners to produce generalizable solutions for individual machine learning problems with datasets that are significantly smaller than those required for learning from scratch. Such models are typically trained on large and diverse datasets with weak supervision, consuming much more training data than is available for any individual downstream application. In this paper, we describe the Visual Navigation Transformer (ViNT), a foundation model that aims to bring the success of general-purpose pre-trained models to vision-based robotic navigation. ViNT is trained with a general goal-reaching objective that can be used with any navigation dataset, and employs a flexible Transformer-based architecture to learn navigational affordances and enable efficient adaptation to a variety of downstream navigational tasks. ViNT is trained on a number of existing navigation datasets, comprising hundreds of hours of robotic navigation from a variety of different robotic platforms, and exhibits positive transfer, outperforming specialist models trained on singular datasets. ViNT can be augmented with diffusion-based subgoal proposals to explore novel environments, and can solve kilometer-scale navigation problems when equipped with long-range heuristics. ViNT can also be adapted to novel task specifications with a technique inspired by prompt-tuning, where the goal encoder is replaced by an encoding of another task modality (e.g., GPS waypoints or routing commands) embedded into the same space of goal tokens. This flexibility and ability to accommodate a variety of downstream problem domains establishes ViNT as an effective foundation model for mobile robotics. For videos, code, and model checkpoints, see our project page at https://visualnav-transformer.github.io.

  • 7 authors
·
Jun 26, 2023

Self-regulating Prompts: Foundational Model Adaptation without Forgetting

Prompt learning has emerged as an efficient alternative for fine-tuning foundational models, such as CLIP, for various downstream tasks. Conventionally trained using the task-specific objective, i.e., cross-entropy loss, prompts tend to overfit downstream data distributions and find it challenging to capture task-agnostic general features from the frozen CLIP. This leads to the loss of the model's original generalization capability. To address this issue, our work introduces a self-regularization framework for prompting called PromptSRC (Prompting with Self-regulating Constraints). PromptSRC guides the prompts to optimize for both task-specific and task-agnostic general representations using a three-pronged approach by: (a) regulating prompted representations via mutual agreement maximization with the frozen model, (b) regulating with self-ensemble of prompts over the training trajectory to encode their complementary strengths, and (c) regulating with textual diversity to mitigate sample diversity imbalance with the visual branch. To the best of our knowledge, this is the first regularization framework for prompt learning that avoids overfitting by jointly attending to pre-trained model features, the training trajectory during prompting, and the textual diversity. PromptSRC explicitly steers the prompts to learn a representation space that maximizes performance on downstream tasks without compromising CLIP generalization. We perform extensive experiments on 4 benchmarks where PromptSRC overall performs favorably well compared to the existing methods. Our code and pre-trained models are publicly available at: https://github.com/muzairkhattak/PromptSRC.

  • 6 authors
·
Jul 13, 2023

SequenceMatch: Imitation Learning for Autoregressive Sequence Modelling with Backtracking

In many domains, autoregressive models can attain high likelihood on the task of predicting the next observation. However, this maximum-likelihood (MLE) objective does not necessarily match a downstream use-case of autoregressively generating high-quality sequences. The MLE objective weights sequences proportionally to their frequency under the data distribution, with no guidance for the model's behaviour out of distribution (OOD): leading to compounding error during autoregressive generation. In order to address this compounding error problem, we formulate sequence generation as an imitation learning (IL) problem. This allows us to minimize a variety of divergences between the distribution of sequences generated by an autoregressive model and sequences from a dataset, including divergences with weight on OOD generated sequences. The IL framework also allows us to incorporate backtracking by introducing a backspace action into the generation process. This further mitigates the compounding error problem by allowing the model to revert a sampled token if it takes the sequence OOD. Our resulting method, SequenceMatch, can be implemented without adversarial training or major architectural changes. We identify the SequenceMatch-chi^2 divergence as a more suitable training objective for autoregressive models which are used for generation. We show that empirically, SequenceMatch training leads to improvements over MLE on text generation with language models.

  • 2 authors
·
Jun 8, 2023

SuperHF: Supervised Iterative Learning from Human Feedback

While large language models demonstrate remarkable capabilities, they often present challenges in terms of safety, alignment with human values, and stability during training. Here, we focus on two prevalent methods used to align these models, Supervised Fine-Tuning (SFT) and Reinforcement Learning from Human Feedback (RLHF). SFT is simple and robust, powering a host of open-source models, while RLHF is a more sophisticated method used in top-tier models like ChatGPT but also suffers from instability and susceptibility to reward hacking. We propose a novel approach, Supervised Iterative Learning from Human Feedback (SuperHF), which seeks to leverage the strengths of both methods. Our hypothesis is two-fold: that the reward model used in RLHF is critical for efficient data use and model generalization and that the use of Proximal Policy Optimization (PPO) in RLHF may not be necessary and could contribute to instability issues. SuperHF replaces PPO with a simple supervised loss and a Kullback-Leibler (KL) divergence prior. It creates its own training data by repeatedly sampling a batch of model outputs and filtering them through the reward model in an online learning regime. We then break down the reward optimization problem into three components: robustly optimizing the training rewards themselves, preventing reward hacking-exploitation of the reward model that degrades model performance-as measured by a novel METEOR similarity metric, and maintaining good performance on downstream evaluations. Our experimental results show SuperHF exceeds PPO-based RLHF on the training objective, easily and favorably trades off high reward with low reward hacking, improves downstream calibration, and performs the same on our GPT-4 based qualitative evaluation scheme all the while being significantly simpler to implement, highlighting SuperHF's potential as a competitive language model alignment technique.

  • 7 authors
·
Oct 25, 2023

Visual Dialog

We introduce the task of Visual Dialog, which requires an AI agent to hold a meaningful dialog with humans in natural, conversational language about visual content. Specifically, given an image, a dialog history, and a question about the image, the agent has to ground the question in image, infer context from history, and answer the question accurately. Visual Dialog is disentangled enough from a specific downstream task so as to serve as a general test of machine intelligence, while being grounded in vision enough to allow objective evaluation of individual responses and benchmark progress. We develop a novel two-person chat data-collection protocol to curate a large-scale Visual Dialog dataset (VisDial). VisDial v0.9 has been released and contains 1 dialog with 10 question-answer pairs on ~120k images from COCO, with a total of ~1.2M dialog question-answer pairs. We introduce a family of neural encoder-decoder models for Visual Dialog with 3 encoders -- Late Fusion, Hierarchical Recurrent Encoder and Memory Network -- and 2 decoders (generative and discriminative), which outperform a number of sophisticated baselines. We propose a retrieval-based evaluation protocol for Visual Dialog where the AI agent is asked to sort a set of candidate answers and evaluated on metrics such as mean-reciprocal-rank of human response. We quantify gap between machine and human performance on the Visual Dialog task via human studies. Putting it all together, we demonstrate the first 'visual chatbot'! Our dataset, code, trained models and visual chatbot are available on https://visualdialog.org

  • 8 authors
·
Nov 26, 2016

BalCapRL: A Balanced Framework for RL-Based MLLM Image Captioning

Image captioning is one of the most fundamental tasks in computer vision. Owing to its open-ended nature, it has received significant attention in the era of multimodal large language models (MLLMs). In pursuit of ever more detailed and accurate captions, recent work has increasingly turned to reinforcement learning (RL). However, existing captioning-RL methods and evaluation metrics often emphasize a narrow notion of caption quality, inducing trade-offs across core dimensions of captioning. For example, utility-oriented objectives can encourage noisy, hallucinated, or overlong captions that improve downstream question answering while harming fluency, whereas arena-style objectives can favor fluent but generic descriptions with limited usefulness. To address this, we propose a more balanced RL framework that jointly optimizes utility-aware correctness, reference coverage, and linguistic quality. In order to effectively optimize the resulting continuous multi-objective reward formulation, we apply GDPO-style reward-decoupled normalization to continuous-valued captioning rewards and show that it improves performance over vanilla GRPO. Additionally, we introduce length-conditional reward masking, yielding a more suitable length penalty for captioning. Across LLaVA-1.5-7B and Qwen2.5-VL 3B and 7B base models, our method consistently improves caption quality, with peak gains of +13.6 DCScore, +9.0 CaptionQA, and +29.0 CapArena across different models.

apple Apple
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May 7 2

Learning Generalizable 3D Medical Image Representations from Mask-Guided Self-Supervision

Foundation models have transformed vision and language by learning general-purpose representations from large-scale unlabeled data, yet 3D medical imaging lacks analogous approaches. Existing self-supervised methods rely on low-level reconstruction or contrastive objectives that fail to capture the anatomical semantics critical for medical image analysis, limiting transfer to downstream tasks. We present MASS (MAsk-guided Self-Supervised learning), which treats in-context segmentation as the pretext task for learning general-purpose medical imaging representations. MASS's key insight is that automatically generated class-agnostic masks provide sufficient structural supervision for learning semantically rich representations. By training on thousands of diverse mask proposals spanning anatomical structures and pathological findings, MASS learns what semantically defines medical structures: the holistic combination of appearance, shape, spatial context, and anatomical relationships. We demonstrate effectiveness across data regimes: from small-scale pretraining on individual datasets (20-200 scans) to large-scale multi-modal pretraining on 5K CT, MRI, and PET volumes, all without annotations. MASS demonstrates: (i) few-shot segmentation on novel structures, (ii) matching full supervision with only 20-40\% labeled data while outperforming self-supervised baselines by over 20 in Dice score in low-data regimes, and (iii) frozen-encoder classification on unseen pathologies that matches full supervised training with thousands of samples. Mask-guided self-supervised pretraining captures broadly generalizable knowledge, opening a path toward 3D medical imaging foundation models without expert annotations. Code is available: https://github.com/Stanford-AIMI/MASS.

  • 8 authors
·
Mar 13

Pre-Trained Models: Past, Present and Future

Large-scale pre-trained models (PTMs) such as BERT and GPT have recently achieved great success and become a milestone in the field of artificial intelligence (AI). Owing to sophisticated pre-training objectives and huge model parameters, large-scale PTMs can effectively capture knowledge from massive labeled and unlabeled data. By storing knowledge into huge parameters and fine-tuning on specific tasks, the rich knowledge implicitly encoded in huge parameters can benefit a variety of downstream tasks, which has been extensively demonstrated via experimental verification and empirical analysis. It is now the consensus of the AI community to adopt PTMs as backbone for downstream tasks rather than learning models from scratch. In this paper, we take a deep look into the history of pre-training, especially its special relation with transfer learning and self-supervised learning, to reveal the crucial position of PTMs in the AI development spectrum. Further, we comprehensively review the latest breakthroughs of PTMs. These breakthroughs are driven by the surge of computational power and the increasing availability of data, towards four important directions: designing effective architectures, utilizing rich contexts, improving computational efficiency, and conducting interpretation and theoretical analysis. Finally, we discuss a series of open problems and research directions of PTMs, and hope our view can inspire and advance the future study of PTMs.

  • 24 authors
·
Jun 13, 2021

Enhancing Diffusion Models with Text-Encoder Reinforcement Learning

Text-to-image diffusion models are typically trained to optimize the log-likelihood objective, which presents challenges in meeting specific requirements for downstream tasks, such as image aesthetics and image-text alignment. Recent research addresses this issue by refining the diffusion U-Net using human rewards through reinforcement learning or direct backpropagation. However, many of them overlook the importance of the text encoder, which is typically pretrained and fixed during training. In this paper, we demonstrate that by finetuning the text encoder through reinforcement learning, we can enhance the text-image alignment of the results, thereby improving the visual quality. Our primary motivation comes from the observation that the current text encoder is suboptimal, often requiring careful prompt adjustment. While fine-tuning the U-Net can partially improve performance, it remains suffering from the suboptimal text encoder. Therefore, we propose to use reinforcement learning with low-rank adaptation to finetune the text encoder based on task-specific rewards, referred as TexForce. We first show that finetuning the text encoder can improve the performance of diffusion models. Then, we illustrate that TexForce can be simply combined with existing U-Net finetuned models to get much better results without additional training. Finally, we showcase the adaptability of our method in diverse applications, including the generation of high-quality face and hand images.

  • 7 authors
·
Nov 27, 2023

Omni-DNA: A Unified Genomic Foundation Model for Cross-Modal and Multi-Task Learning

Large Language Models (LLMs) demonstrate remarkable generalizability across diverse tasks, yet genomic foundation models (GFMs) still require separate finetuning for each downstream application, creating significant overhead as model sizes grow. Moreover, existing GFMs are constrained by rigid output formats, limiting their applicability to various genomic tasks. In this work, we revisit the transformer-based auto-regressive models and introduce Omni-DNA, a family of cross-modal multi-task models ranging from 20 million to 1 billion parameters. Our approach consists of two stages: (i) pretraining on DNA sequences with next token prediction objective, and (ii) expanding the multi-modal task-specific tokens and finetuning for multiple downstream tasks simultaneously. When evaluated on the Nucleotide Transformer and GB benchmarks, Omni-DNA achieves state-of-the-art performance on 18 out of 26 tasks. Through multi-task finetuning, Omni-DNA addresses 10 acetylation and methylation tasks at once, surpassing models trained on each task individually. Finally, we design two complex genomic tasks, DNA2Function and Needle-in-DNA, which map DNA sequences to textual functional descriptions and images, respectively, indicating Omni-DNA's cross-modal capabilities to broaden the scope of genomic applications. All the models are available through https://huggingface.co/collections/zehui127

  • 7 authors
·
Feb 5, 2025

A Domain-Knowledge-Inspired Music Embedding Space and a Novel Attention Mechanism for Symbolic Music Modeling

Following the success of the transformer architecture in the natural language domain, transformer-like architectures have been widely applied to the domain of symbolic music recently. Symbolic music and text, however, are two different modalities. Symbolic music contains multiple attributes, both absolute attributes (e.g., pitch) and relative attributes (e.g., pitch interval). These relative attributes shape human perception of musical motifs. These important relative attributes, however, are mostly ignored in existing symbolic music modeling methods with the main reason being the lack of a musically-meaningful embedding space where both the absolute and relative embeddings of the symbolic music tokens can be efficiently represented. In this paper, we propose the Fundamental Music Embedding (FME) for symbolic music based on a bias-adjusted sinusoidal encoding within which both the absolute and the relative attributes can be embedded and the fundamental musical properties (e.g., translational invariance) are explicitly preserved. Taking advantage of the proposed FME, we further propose a novel attention mechanism based on the relative index, pitch and onset embeddings (RIPO attention) such that the musical domain knowledge can be fully utilized for symbolic music modeling. Experiment results show that our proposed model: RIPO transformer which utilizes FME and RIPO attention outperforms the state-of-the-art transformers (i.e., music transformer, linear transformer) in a melody completion task. Moreover, using the RIPO transformer in a downstream music generation task, we notice that the notorious degeneration phenomenon no longer exists and the music generated by the RIPO transformer outperforms the music generated by state-of-the-art transformer models in both subjective and objective evaluations.

  • 3 authors
·
Dec 2, 2022

Towards Agentic Intelligence for Materials Science

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.

  • 21 authors
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Jan 29 2

PASTA: Pretrained Action-State Transformer Agents

Self-supervised learning has brought about a revolutionary paradigm shift in various computing domains, including NLP, vision, and biology. Recent approaches involve pre-training transformer models on vast amounts of unlabeled data, serving as a starting point for efficiently solving downstream tasks. In the realm of reinforcement learning, researchers have recently adapted these approaches by developing models pre-trained on expert trajectories, enabling them to address a wide range of tasks, from robotics to recommendation systems. However, existing methods mostly rely on intricate pre-training objectives tailored to specific downstream applications. This paper presents a comprehensive investigation of models we refer to as Pretrained Action-State Transformer Agents (PASTA). Our study uses a unified methodology and covers an extensive set of general downstream tasks including behavioral cloning, offline RL, sensor failure robustness, and dynamics change adaptation. Our goal is to systematically compare various design choices and provide valuable insights to practitioners for building robust models. Key highlights of our study include tokenization at the action and state component level, using fundamental pre-training objectives like next token prediction, training models across diverse domains simultaneously, and using parameter efficient fine-tuning (PEFT). The developed models in our study contain fewer than 10 million parameters and the application of PEFT enables fine-tuning of fewer than 10,000 parameters during downstream adaptation, allowing a broad community to use these models and reproduce our experiments. We hope that this study will encourage further research into the use of transformers with first-principles design choices to represent RL trajectories and contribute to robust policy learning.

  • 5 authors
·
Jul 20, 2023

DAS: Dual-Aligned Semantic IDs Empowered Industrial Recommender System

Semantic IDs are discrete identifiers generated by quantizing the Multi-modal Large Language Models (MLLMs) embeddings, enabling efficient multi-modal content integration in recommendation systems. However, their lack of collaborative signals results in a misalignment with downstream discriminative and generative recommendation objectives. Recent studies have introduced various alignment mechanisms to address this problem, but their two-stage framework design still leads to two main limitations: (1) inevitable information loss during alignment, and (2) inflexibility in applying adaptive alignment strategies, consequently constraining the mutual information maximization during the alignment process. To address these limitations, we propose a novel and flexible one-stage Dual-Aligned Semantic IDs (DAS) method that simultaneously optimizes quantization and alignment, preserving semantic integrity and alignment quality while avoiding the information loss typically associated with two-stage methods. Meanwhile, DAS achieves more efficient alignment between the semantic IDs and collaborative signals, with the following two innovative and effective approaches: (1) Multi-view Constrative Alignment: To maximize mutual information between semantic IDs and collaborative signals, we first incorporate an ID-based CF debias module, and then design three effective contrastive alignment methods: dual user-to-item (u2i), dual item-to-item/user-to-user (i2i/u2u), and dual co-occurrence item-to-item/user-to-user (i2i/u2u). (2) Dual Learning: By aligning the dual quantizations of users and ads, the constructed semantic IDs for users and ads achieve stronger alignment. Finally, we conduct extensive offline experiments and online A/B tests to evaluate DAS's effectiveness, which is now successfully deployed across various advertising scenarios at Kuaishou App, serving over 400 million users daily.

  • 6 authors
·
Aug 14, 2025

Cycle Consistency Driven Object Discovery

Developing deep learning models that effectively learn object-centric representations, akin to human cognition, remains a challenging task. Existing approaches facilitate object discovery by representing objects as fixed-size vectors, called ``slots'' or ``object files''. While these approaches have shown promise in certain scenarios, they still exhibit certain limitations. First, they rely on architectural priors which can be unreliable and usually require meticulous engineering to identify the correct objects. Second, there has been a notable gap in investigating the practical utility of these representations in downstream tasks. To address the first limitation, we introduce a method that explicitly optimizes the constraint that each object in a scene should be associated with a distinct slot. We formalize this constraint by introducing consistency objectives which are cyclic in nature. By integrating these consistency objectives into various existing slot-based object-centric methods, we showcase substantial improvements in object-discovery performance. These enhancements consistently hold true across both synthetic and real-world scenes, underscoring the effectiveness and adaptability of the proposed approach. To tackle the second limitation, we apply the learned object-centric representations from the proposed method to two downstream reinforcement learning tasks, demonstrating considerable performance enhancements compared to conventional slot-based and monolithic representation learning methods. Our results suggest that the proposed approach not only improves object discovery, but also provides richer features for downstream tasks.

  • 3 authors
·
Jun 3, 2023

LUNA: Efficient and Topology-Agnostic Foundation Model for EEG Signal Analysis

Electroencephalography (EEG) offers a non-invasive lens into human brain activity, but building large-scale models is hampered by topological heterogeneity: each public EEG data defines its own electrode layout, limiting generalization. We introduce LUNA (Latent Unified Network Architecture), a self-supervised foundation model that reconciles disparate electrode geometries while scaling linearly -- not quadratically -- with channel count. LUNA compresses multi-channel EEG into a fixed-size, topology-agnostic latent space via learned queries and cross-attention. Downstream transformer blocks then operate exclusively on this latent representation using patch-wise temporal self-attention, decoupling computation from electrode count. Pre-trained on TUEG and Siena (over 21,000 hours of raw EEG across diverse montages) using a masked-patch reconstruction objective, LUNA transfers effectively to four downstream tasks: abnormality detection, artifact rejection, slowing classification, and emotion recognition. It demonstrates highly competitive performance across several benchmarks, achieving state-of-the-art results on TUAR and TUSL, e.g., 0.921 AUROC on TUAR, while reducing FLOPs by 300x and trimming GPU memory use by up to 10x. Critically, these gains are consistent across all evaluated electrode configurations. Code is available at https://github.com/pulp-bio/BioFoundation

PulpBio Pulp Platform Bio
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Oct 25, 2025

STAR: Similarity-guided Teacher-Assisted Refinement for Super-Tiny Function Calling Models

The proliferation of Large Language Models (LLMs) in function calling is pivotal for creating advanced AI agents, yet their large scale hinders widespread adoption, necessitating transferring their capabilities into smaller ones. However, existing paradigms are often plagued by overfitting, training instability, ineffective binary rewards for multi-solution tasks, and the difficulty of synergizing techniques. We introduce STAR: Similarity-guided Teacher-Assisted Refinement, a novel holistic framework that effectively transfers LLMs' capabilities to super-tiny models. STAR consists of two core technical innovations: (1) Constrained Knowledge Distillation (CKD), a training objective that augments top-k forward KL divergence to suppress confidently incorrect predictions, ensuring training stability while preserving exploration capacity for downstream RL. STAR holistically synergizes these strategies within a cohesive training curriculum, enabling super-tiny models to achieve exceptional performance on complex function calling tasks; (2) Similarity-guided RL (Sim-RL), a RL mechanism that introduces a fine-grained, similarity-based reward. This provides a robust, continuous, and rich signal for better policy optimization by evaluating the similarity between generated outputs and the ground truth. Extensive experiments on challenging and renowned benchmarks demonstrate the effectiveness of our method. Our STAR models establish SOTA in their size classes, significantly outperforming baselines. Remarkably, our 0.6B STAR model achieves the best performance among all open models under 1B, surpassing even several well-known open models at a larger scale. STAR demonstrates a training framework that distills capabilities of LLMs into super-tiny models, paving the way for powerful, accessible, and efficient AI agents.

  • 5 authors
·
Feb 23

Monocular Per-Object Distance Estimation with Masked Object Modeling

Per-object distance estimation is critical in surveillance and autonomous driving, where safety is crucial. While existing methods rely on geometric or deep supervised features, only a few attempts have been made to leverage self-supervised learning. In this respect, our paper draws inspiration from Masked Image Modeling (MiM) and extends it to multi-object tasks. While MiM focuses on extracting global image-level representations, it struggles with individual objects within the image. This is detrimental for distance estimation, as objects far away correspond to negligible portions of the image. Conversely, our strategy, termed Masked Object Modeling (MoM), enables a novel application of masking techniques. In a few words, we devise an auxiliary objective that reconstructs the portions of the image pertaining to the objects detected in the scene. The training phase is performed in a single unified stage, simultaneously optimizing the masking objective and the downstream loss (i.e., distance estimation). We evaluate the effectiveness of MoM on a novel reference architecture (DistFormer) on the standard KITTI, NuScenes, and MOTSynth datasets. Our evaluation reveals that our framework surpasses the SoTA and highlights its robust regularization properties. The MoM strategy enhances both zero-shot and few-shot capabilities, from synthetic to real domain. Finally, it furthers the robustness of the model in the presence of occluded or poorly detected objects. Code is available at https://github.com/apanariello4/DistFormer

  • 6 authors
·
Jan 6, 2024

CodeT5+: Open Code Large Language Models for Code Understanding and Generation

Large language models (LLMs) pretrained on vast source code have achieved prominent progress in code intelligence. However, existing code LLMs have two main limitations in terms of architecture and pretraining tasks. First, they often adopt a specific architecture (encoder-only or decoder-only) or rely on a unified encoder-decoder network for different downstream tasks. The former paradigm is limited by inflexibility in applications while in the latter, the model is treated as a single system for all tasks, leading to suboptimal performance on a subset of tasks. Secondly, they often employ a limited set of pretraining objectives which might not be relevant to some downstream tasks and hence result in substantial performance degrade. To address these limitations, we propose ``CodeT5+'', a family of encoder-decoder LLMs for code in which component modules can be flexibly combined to suit a wide range of downstream code tasks. Such flexibility is enabled by our proposed mixture of pretraining objectives to mitigate the pretrain-finetune discrepancy. These objectives cover span denoising, contrastive learning, text-code matching, and causal LM pretraining tasks, on both unimodal and bimodal multilingual code corpora. Furthermore, we propose to initialize CodeT5+ with frozen off-the-shelf LLMs without training from scratch to efficiently scale up our models, and explore instruction-tuning to align with natural language instructions. We extensively evaluate CodeT5+ on over 20 code-related benchmarks in different settings, including zero-shot, finetuning, and instruction-tuning. We observe state-of-the-art (SoTA) model performance on various code-related tasks, such as code generation and completion, math programming, and text-to-code retrieval tasks. Particularly, our instruction-tuned CodeT5+ 16B achieves new SoTA results on HumanEval code generation task against other open code LLMs.

  • 6 authors
·
May 13, 2023 2

Transformers for molecular property prediction: Domain adaptation efficiently improves performance

Most of the current transformer-based chemical language models are pre-trained on millions to billions of molecules. However, the improvement from such scaling in dataset size is not confidently linked to improved molecular property prediction. The aim of this study is to investigate and overcome some of the limitations of transformer models in predicting molecular properties. Specifically, we examine the impact of pre-training dataset size and diversity on the performance of transformer models and investigate the use of domain adaptation as a technique for improving model performance. First, our findings indicate that increasing pretraining dataset size beyond 400K molecules from the GuacaMol dataset does not result in a significant improvement on four ADME endpoints, namely, solubility, permeability, microsomal stability, and plasma protein binding. Second, our results demonstrate that using domain adaptation by further training the transformer model on a small set of domain-relevant molecules, i.e., a few hundred to a few thousand, using multi-task regression of physicochemical properties was sufficient to significantly improve performance for three out of the four investigated ADME endpoints (P-value < 0.001). Finally, we observe that a model pre-trained on 400K molecules and domain adopted on a few hundred/thousand molecules performs similarly (P-value > 0.05) to more complicated transformer models like MolBERT(pre-trained on 1.3M molecules) and MolFormer (pre-trained on 100M molecules). A comparison to a random forest model trained on basic physicochemical properties showed similar performance to the examined transformer models. We believe that current transformer models can be improved through further systematic analysis of pre-training and downstream data, pre-training objectives, and scaling laws, ultimately leading to better and more helpful models.

  • 6 authors
·
Mar 5, 2025

Zero-Shot Code Representation Learning via Prompt Tuning

Learning code representations has been the core prerequisite of many software engineering tasks such as code clone detection and code generation. State-of-the-art program representation techniques mainly utilize pre-trained language models (PLMs) such as CodeBERT. A Transformer encoder is firstly pre-trained on a large-scale code corpus to acquire general knowledge about source code. The pre-trained model is then fine-tuned on specific tasks using an amount of labeled data. However, gathering training samples for the downstream tasks can be prohibitively expensive and impractical for domain-specific languages or project-specific tasks. Besides, pre-training and downstream tasks are usually heterogeneous, which makes it difficult to fully explore the knowledge learned during pre-training. In this paper, we propose Zecoler, a zero-shot approach for learning code representations. Zecoler is built upon a pre-trained programming language model. In order to elicit knowledge from the PLMs efficiently, Zecoler casts the downstream tasks to the same form of pre-training objectives by inserting train-able prompts into the original input. These prompts can guide PLMs on how to generate better results. Subsequently, we employ the prompt tuning technique to search for the optimal prompts for PLMs automatically. This enables the representation model to efficiently fit the downstream tasks through fine-tuning on the dataset in source language domain and then reuse the pre-trained knowledge for the target domain in a zero-shot style. We evaluate Zecoler in five code intelligence tasks including code clone detection, code search, method name prediction, code summarization, and code generation. The results show that our approach significantly outperforms baseline models under the zero-shot setting.

  • 3 authors
·
Apr 13, 2024