Daily Papers

Reasoning large language models (RLLMs) have recently demonstrated remarkable capabilities through structured and multi-step reasoning. While prior research has primarily focused on improving their training and inference strategies, their potential for in-context learning (ICL) remains largely underexplored. To fill this gap, we propose Thinking with Nothinking Calibration (JointThinking), a new ICL paradigm that leverages the structured difference between two reasoning modes, i.e., Thinking and Nothinking, to improve reasoning accuracy. Specifically, our method prompts the model to generate two answers in parallel: one in Thinking mode and the other in Nothinking mode. A second round of Thinking is triggered only when the two initial responses are inconsistent, using a single prompt that incorporates the original question and both candidate answers. Since such disagreement occurs infrequently (e.g., only 6\% in GSM8K), our method performs just one round of reasoning in most cases, resulting in minimal latency overhead. Extensive experiments across multiple reasoning benchmarks demonstrate that JointThinking significantly outperforms few-shot chain-of-thought (CoT) and majority voting with improved answer robustness. Moreover, It achieves comparable in-distribution performance to training-based SOTA method, while substantially outperforming on out-of-distribution tasks. We further conduct a systematic analysis of the calibration mechanism, showing that leveraging different reasoning modes consistently lowers the error rate and highlights the value of structural thinking diversity. Additionally, we observe that the performance gap between actual and ideal reasoning narrows as model size increases in the second round of thinking, indicating the strong scalability of our approach. Finally, we discuss current limitations and outline promising directions for future ICL research in RLLMs.

Large language models (LLMs) often exhibit complementary strengths. Model routing harnesses these strengths by dynamically directing each query to the most suitable model, given a candidate model pool. However, routing performance relies on accurate model representations, and adding new models typically requires retraining, limiting scalability. To address these challenges, we propose a novel routing method using in-context vectors to represent model capabilities. The method proceeds in two stages. First, queries are embedded and projected into vectors, with a projector and LLM-based router trained to reconstruct the original queries, aligning vector representations with the router's semantic space. Second, each candidate model is profiled on a query set, and the router learns -- based on in-context vectors of query and model performance -- to predict whether each model can correctly answer new queries. Extensive experiments demonstrate that our method achieves state-of-the-art routing performance in both in-distribution and out-of-distribution tasks. Moreover, our method allows for seamless integration of new models without retraining the router. The code is available at https://github.com/lalalamdbf/ICL-Router.

Distinguishing in- and out-of-distribution (OOD) inputs is crucial for reliable deployment of classification systems. However, OOD data is typically unavailable or difficult to collect, posing a significant challenge for accurate OOD detection. In this work, we present a method that harnesses the generative capabilities of Large Language Models (LLMs) to create high-quality synthetic OOD proxies, eliminating the dependency on any external OOD data source. We study the efficacy of our method on classical text classification tasks such as toxicity detection and sentiment classification as well as classification tasks arising in LLM development and deployment, such as training a reward model for RLHF and detecting misaligned generations. Extensive experiments on nine InD-OOD dataset pairs and various model sizes show that our approach dramatically lowers false positive rates (achieving a perfect zero in some cases) while maintaining high accuracy on in-distribution tasks, outperforming baseline methods by a significant margin.

Enabling robots to execute novel manipulation tasks zero-shot is a central goal in robotics. Most existing methods assume in-distribution tasks or rely on fine-tuning with embodiment-matched data, limiting transfer across platforms. We present NovaFlow, an autonomous manipulation framework that converts a task description into an actionable plan for a target robot without any demonstrations. Given a task description, NovaFlow synthesizes a video using a video generation model and distills it into 3D actionable object flow using off-the-shelf perception modules. From the object flow, it computes relative poses for rigid objects and realizes them as robot actions via grasp proposals and trajectory optimization. For deformable objects, this flow serves as a tracking objective for model-based planning with a particle-based dynamics model. By decoupling task understanding from low-level control, NovaFlow naturally transfers across embodiments. We validate on rigid, articulated, and deformable object manipulation tasks using a table-top Franka arm and a Spot quadrupedal mobile robot, and achieve effective zero-shot execution without demonstrations or embodiment-specific training. Project website: https://novaflow.lhy.xyz/.

In real-world drug design, molecule optimization requires selectively improving multiple molecular properties up to pharmaceutically relevant levels, while maintaining others that already meet such criteria. However, existing computational approaches and instruction-tuned LLMs fail to capture such nuanced property-specific objectives, limiting their practical applicability. To address this, we introduce C-MuMOInstruct, the first instruction-tuning dataset focused on multi-property optimization with explicit, property-specific objectives. Leveraging C-MuMOInstruct, we develop GeLLMO-Cs, a series of instruction-tuned LLMs that can perform targeted property-specific optimization. Our experiments across 5 in-distribution and 5 out-of-distribution tasks show that GeLLMO-Cs consistently outperform strong baselines, achieving up to 126% higher success rate. Notably, GeLLMO-Cs exhibit impressive 0-shot generalization to novel optimization tasks and unseen instructions. This offers a step toward a foundational LLM to support realistic, diverse optimizations with property-specific objectives. C-MuMOInstruct and code are accessible through https://github.com/ninglab/GeLLMO-C.

Reinforcement Learning from Human Feedback (RLHF) has greatly improved the performance of modern Large Language Models (LLMs). The RLHF process is resource-intensive and technically challenging, generally requiring a large collection of human preference labels over model-generated outputs. Reinforcement Learning from AI Feedback (RLAIF) addresses this data collection challenge by leveraging synthetic preferences generated by an LLM. However, recent work has shown that synthetic preferences labels may not align well with human preference judgments. To address this, we propose a hybrid approach that unifies RLHF and RLAIF methodologies. We introduce GenRM, an iterative algorithm that trains an LLM on self-generated reasoning traces, leading to synthetic preference labels matching human preference judgments. Empirically, we show that zero-shot LLM-based judgments under-perform compared to Bradley-Terry reward models on in-distribution tasks (between 9-36%). In contrast, GenRM achieves in-distribution accuracy comparable to Bradley-Terry models, while significantly outperforming them on out-of-distribution tasks (between 10-45%). Moreover, GenRM surpasses the performance of using LLMs as judges on both in-distribution (by 9-31%) and out-of-distribution tasks (by 2- 6%). Our results show that combining the strengths of RLHF and RLAIF offers a promising approach for improving the quality of synthetic preference labels.

Reinforcement learning from verifiable rewards (RLVR) has recently gained attention for its ability to elicit self-evolved reasoning capabilitie from base language models without explicit reasoning supervisions, as demonstrated by DeepSeek-R1. While prior work on RLVR has primarily focused on mathematical and coding domains, its applicability to other tasks and domains remains unexplored. In this work, we investigate whether medical reasoning can emerge from RLVR. We introduce Med-RLVR as an initial study of RLVR in the medical domain leveraging medical multiple-choice question answering (MCQA) data as verifiable labels. Our results demonstrate that RLVR is not only effective for math and coding but also extends successfully to medical question answering. Notably, Med-RLVR achieves performance comparable to traditional supervised fine-tuning (SFT) on in-distribution tasks while significantly improving out-of-distribution generalization, with an 8-point accuracy gain. Further analysis of training dynamics reveals that, with no explicit reasoning supervision, reasoning emerges from the 3B-parameter base model. These findings underscore the potential of RLVR in domains beyond math and coding, opening new avenues for its application in knowledge-intensive fields such as medicine.

Vision-Language-Action models (VLAs) have demonstrated remarkable performance in robot control. However, they remain fundamentally limited in tasks that require high precision due to their single-inference paradigm. While test-time scaling approaches using external verifiers have shown promise, they require additional training and fail to generalize to unseen conditions. We propose Masking Distribution Guided Selection (MG-Select), a novel test-time scaling framework for VLAs that leverages the model's internal properties without requiring additional training or external modules. Our approach utilizes KL divergence from a reference action token distribution as a confidence metric for selecting the optimal action from multiple candidates. We introduce a reference distribution generated by the same VLA but with randomly masked states and language conditions as inputs, ensuring maximum uncertainty while remaining aligned with the target task distribution. Additionally, we propose a joint training strategy that enables the model to learn both conditional and unconditional distributions by applying dropout to state and language conditions, thereby further improving the quality of the reference distribution. Our experiments demonstrate that MG-Select achieves significant performance improvements, including a 28%/35% improvement in real-world in-distribution/out-of-distribution tasks, along with a 168% relative gain on RoboCasa pick-and-place tasks trained with 30 demonstrations.

Recent advancements in Chain of Thought (COT) generation have significantly improved the reasoning capabilities of Large Language Models (LLMs), with reinforcement learning (RL) emerging as an effective post-training approach. Multimodal Large Language Models (MLLMs) inherit this reasoning potential but remain underexplored in tasks requiring both perception and logical reasoning. To address this, we introduce SEED-Bench-R1, a benchmark designed to systematically evaluate post-training methods for MLLMs in video understanding. It includes intricate real-world videos and complex everyday planning tasks in the format of multiple-choice questions, requiring sophisticated perception and reasoning. SEED-Bench-R1 assesses generalization through a three-level hierarchy: in-distribution, cross-environment, and cross-environment-task scenarios, equipped with a large-scale training dataset with easily verifiable ground-truth answers. Using Qwen2-VL-Instruct-7B as a base model, we compare RL with supervised fine-tuning (SFT), demonstrating RL's data efficiency and superior performance on both in-distribution and out-of-distribution tasks, even outperforming SFT on general video understanding benchmarks like LongVideoBench. Our detailed analysis reveals that RL enhances visual perception but often produces less logically coherent reasoning chains. We identify key limitations such as inconsistent reasoning and overlooked visual cues, and suggest future improvements in base model reasoning, reward modeling, and RL robustness against noisy signals.

Vision-Language-Action (VLA) models have demonstrated remarkable capabilities in visuomotor control, yet ensuring their robustness in unstructured real-world environments remains a persistent challenge. In this paper, we investigate test-time scaling through the lens of sampling and verification as means to enhance the robustness and generalization of VLAs. We first demonstrate that the relationship between action error and the number of generated samples follows an exponentiated power law across a range of VLAs, indicating the existence of inference-time scaling laws. Building on these insights, we introduce RoboMonkey, a test-time scaling framework for VLAs. At deployment, RoboMonkey samples a small set of actions from a VLA, applies Gaussian perturbation and majority voting to construct an action proposal distribution, and then uses a Vision Language Model (VLM)-based verifier to select the optimal action. We propose a synthetic data generation pipeline for training such VLM-based action verifiers, and demonstrate that scaling the synthetic dataset consistently improves verification and downstream accuracy. Through extensive simulated and hardware experiments, we show that pairing existing VLAs with RoboMonkey yields significant performance gains, achieving a 25% absolute improvement on out-of-distribution tasks and 9% on in-distribution tasks. Additionally, when adapting to new robot setups, we show that fine-tuning both VLAs and action verifiers yields a 7% performance increase compared to fine-tuning VLAs alone.

Low-quality or scarce data has posed significant challenges for training deep neural networks in practice. While classical data augmentation cannot contribute very different new data, diffusion models opens up a new door to build self-evolving AI by generating high-quality and diverse synthetic data through text-guided prompts. However, text-only guidance cannot control synthetic images' proximity to the original images, resulting in out-of-distribution data detrimental to the model performance. To overcome the limitation, we study image guidance to achieve a spectrum of interpolations between synthetic and real images. With stronger image guidance, the generated images are similar to the training data but hard to learn. While with weaker image guidance, the synthetic images will be easier for model but contribute to a larger distribution gap with the original data. The generated full spectrum of data enables us to build a novel "Diffusion Curriculum (DisCL)". DisCL adjusts the image guidance level of image synthesis for each training stage: It identifies and focuses on hard samples for the model and assesses the most effective guidance level of synthetic images to improve hard data learning. We apply DisCL to two challenging tasks: long-tail (LT) classification and learning from low-quality data. It focuses on lower-guidance images of high-quality to learn prototypical features as a warm-up of learning higher-guidance images that might be weak on diversity or quality. Extensive experiments showcase a gain of 2.7% and 2.1% in OOD and ID macro-accuracy when applying DisCL to iWildCam dataset. On ImageNet-LT, DisCL improves the base model's tail-class accuracy from 4.4% to 23.64% and leads to a 4.02% improvement in all-class accuracy.

Recent works show that assembling multiple off-the-shelf large language models (LLMs) can harness their complementary abilities. To achieve this, routing is a promising method, which learns a router to select the most suitable LLM for each query. However, existing routing models are ineffective when multiple LLMs perform well for a query. To address this problem, in this paper, we propose a method called query-based Router by Dual Contrastive learning (RouterDC). The RouterDC model consists of an encoder and LLM embeddings, and we propose two contrastive learning losses to train the RouterDC model. Experimental results show that RouterDC is effective in assembling LLMs and largely outperforms individual top-performing LLMs as well as existing routing methods on both in-distribution (+2.76\%) and out-of-distribution (+1.90\%) tasks. Source code is available at https://github.com/shuhao02/RouterDC.

Generalization to novel compound tasks under distribution shift is important for deploying transformer-based language models (LMs). This work investigates Chain-of-Thought (CoT) reasoning as a means to enhance OOD generalization. Through controlled experiments across several compound tasks, we reveal three key insights: (1) While QA-trained models achieve near-perfect in-distribution accuracy, their OOD performance degrades catastrophically, even with 10000k+ training examples; (2) the granularity of CoT data strongly correlates with generalization performance; finer-grained CoT data leads to better generalization; (3) CoT exhibits remarkable sample efficiency, matching QA performance with much less (even 80%) data. Theoretically, we demonstrate that compound tasks inherently permit shortcuts in Q-A data that misalign with true reasoning principles, while CoT forces internalization of valid dependency structures, and thus can achieve better generalization. Further, we show that transformer positional embeddings can amplify generalization by emphasizing subtask condition recurrence in long CoT sequences. Our combined theoretical and empirical analysis provides compelling evidence for CoT reasoning as a crucial training paradigm for enabling LM generalization under real-world distributional shifts for compound tasks.

Improving the multi-step reasoning ability of Large Language Models (LLMs) is a critical yet challenging task. The dominant paradigm, outcome-supervised reinforcement learning (RLVR), rewards only correct final answers, often propagating flawed reasoning and suffering from sparse reward signals. While process-level reward models (PRMs) provide denser, step-by-step feedback, they lack generalizability and interpretability, requiring task-specific segmentation of the reasoning process. To this end, we propose the Dimension-level Reward Model (DRM), a new supervision framework that bridges the gap between these two approaches. DRM evaluates the quality of a reasoning process along three fundamental, complementary, and interpretable dimensions: Confidence for uncertainty calibration, Relevance for semantic alignment, and Coherence for logical consistency. Together, these dimensions capture aspects beyond final answer correctness and enable interpretable assessment without requiring ground truth answers. Experimental results show that DRM provides effective supervision signals, guides the optimization of LLMs and enhances their reasoning ability. In particular, DRM-supervised training achieves consistent gains on both in-distribution and out-of-distribution open-domain tasks, including mathematics, question answering, code execution, and puzzles. Our findings demonstrate that multidimensional supervision of the reasoning process can improve the generalized reasoning ability of LLMs beyond the training distribution.

State space models and Mamba-based models have been increasingly applied across various domains, achieving state-of-the-art performance. This technical report introduces the first attempt to train a transferable Mamba model utilizing contrastive language-image pretraining (CLIP). We have trained Mamba models of varying sizes and undertaken comprehensive evaluations of these models on 26 zero-shot classification datasets and 16 out-of-distribution (OOD) datasets. Our findings reveal that a Mamba model with 67 million parameters is on par with a 307 million-parameter Vision Transformer (ViT) model in zero-shot classification tasks, highlighting the parameter efficiency of Mamba models. In tests of OOD generalization, Mamba-based models exhibit exceptional performance in conditions of OOD image contrast or when subjected to high-pass filtering. However, a Hessian analysis indicates that Mamba models feature a sharper and more non-convex landscape compared to ViT-based models, making them more challenging to train. The source code is available at https://github.com/raytrun/mamba-clip.

Recent advances in large reasoning models (LRMs) demonstrate that sophisticated behaviors such as multi-step reasoning and self-reflection can emerge via reinforcement learning (RL) with simple rule-based rewards. However, existing zero-RL approaches are inherently ``on-policy'', limiting learning to a model's own outputs and failing to acquire reasoning abilities beyond its initial capabilities. We introduce LUFFY (Learning to reason Under oFF-policY guidance), a framework that augments zero-RL with off-policy reasoning traces. LUFFY dynamically balances imitation and exploration by combining off-policy demonstrations with on-policy rollouts during training. Notably, we propose policy shaping via regularized importance sampling to avoid superficial and rigid imitation during mixed-policy training. Remarkably, LUFFY achieves an over +7.0 average gain across six math benchmarks and an advantage of over +6.2 points in out-of-distribution tasks. It also substantially surpasses imitation-based supervised fine-tuning (SFT), particularly in generalization. Analysis shows LUFFY not only imitates effectively but also explores beyond demonstrations, offering a scalable path to train generalizable reasoning models with off-policy guidance.

In this work, we explore the mechanism of in-context learning (ICL) on out-of-distribution (OOD) tasks that were not encountered during training. To achieve this, we conduct synthetic experiments where the objective is to learn OOD mathematical functions through ICL using a GPT-2 model. We reveal that Transformers may struggle to learn OOD task functions through ICL. Specifically, ICL performance resembles implementing a function within the pretraining hypothesis space and optimizing it with gradient descent based on the in-context examples. Additionally, we investigate ICL's well-documented ability to learn unseen abstract labels in context. We demonstrate that such ability only manifests in the scenarios without distributional shifts and, therefore, may not serve as evidence of new-task-learning ability. Furthermore, we assess ICL's performance on OOD tasks when the model is pretrained on multiple tasks. Both empirical and theoretical analyses demonstrate the existence of the low-test-error preference of ICL, where it tends to implement the pretraining function that yields low test error in the testing context. We validate this through numerical experiments. This new theoretical result, combined with our empirical findings, elucidates the mechanism of ICL in addressing OOD tasks.

Meta reinforcement learning aims to develop policies that generalize to unseen tasks sampled from a task distribution. While context-based meta-RL methods improve task representation using task latents, they often struggle with out-of-distribution (OOD) tasks. To address this, we propose Task-Aware Virtual Training (TAVT), a novel algorithm that accurately captures task characteristics for both training and OOD scenarios using metric-based representation learning. Our method successfully preserves task characteristics in virtual tasks and employs a state regularization technique to mitigate overestimation errors in state-varying environments. Numerical results demonstrate that TAVT significantly enhances generalization to OOD tasks across various MuJoCo and MetaWorld environments. Our code is available at https://github.com/JM-Kim-94/tavt.git.

Denoising diffusion models have emerged as the go-to framework for solving inverse problems in imaging. A critical concern regarding these models is their performance on out-of-distribution (OOD) tasks, which remains an under-explored challenge. Realistic reconstructions inconsistent with the measured data can be generated, hallucinating image features that are uniquely present in the training dataset. To simultaneously enforce data-consistency and leverage data-driven priors, we introduce a novel sampling framework called Steerable Conditional Diffusion. This framework adapts the denoising network specifically to the available measured data. Utilising our proposed method, we achieve substantial enhancements in OOD performance across diverse imaging modalities, advancing the robust deployment of denoising diffusion models in real-world applications.

Large language models can solve tasks that were not present in the training set. This capability is believed to be due to in-context learning and skill composition. In this work, we study the emergence of in-context learning and skill composition in a collection of modular arithmetic tasks. Specifically, we consider a finite collection of linear modular functions z = a , x + b , y ;mod; p labeled by the vector (a, b) in Z_p^2. We use some of these tasks for pre-training and the rest for out-of-distribution testing. We empirically show that a GPT-style transformer exhibits a transition from in-distribution to out-of-distribution generalization as the number of pre-training tasks increases. We find that the smallest model capable of out-of-distribution generalization requires two transformer blocks, while for deeper models, the out-of-distribution generalization phase is transient, necessitating early stopping. Finally, we perform an interpretability study of the pre-trained models, revealing the highly structured representations in both phases; and discuss the learnt algorithm.

Recent offline meta-reinforcement learning (meta-RL) methods typically utilize task-dependent behavior policies (e.g., training RL agents on each individual task) to collect a multi-task dataset. However, these methods always require extra information for fast adaptation, such as offline context for testing tasks. To address this problem, we first formally characterize a unique challenge in offline meta-RL: transition-reward distribution shift between offline datasets and online adaptation. Our theory finds that out-of-distribution adaptation episodes may lead to unreliable policy evaluation and that online adaptation with in-distribution episodes can ensure adaptation performance guarantee. Based on these theoretical insights, we propose a novel adaptation framework, called In-Distribution online Adaptation with uncertainty Quantification (IDAQ), which generates in-distribution context using a given uncertainty quantification and performs effective task belief inference to address new tasks. We find a return-based uncertainty quantification for IDAQ that performs effectively. Experiments show that IDAQ achieves state-of-the-art performance on the Meta-World ML1 benchmark compared to baselines with/without offline adaptation.

Vision-Language Models (VLMs) have great potential in medical tasks, like Visual Question Answering (VQA), where they could act as interactive assistants for both patients and clinicians. Yet their robustness to distribution shifts on unseen data remains a key concern for safe deployment. Evaluating such robustness requires a controlled experimental setup that allows for systematic insights into the model's behavior. However, we demonstrate that current setups fail to offer sufficiently thorough evaluations. To address this gap, we introduce a novel framework, called SURE-VQA, centered around three key requirements to overcome current pitfalls and systematically analyze VLM robustness: 1) Since robustness on synthetic shifts does not necessarily translate to real-world shifts, it should be measured on real-world shifts that are inherent to the VQA data; 2) Traditional token-matching metrics often fail to capture underlying semantics, necessitating the use of large language models (LLMs) for more accurate semantic evaluation; 3) Model performance often lacks interpretability due to missing sanity baselines, thus meaningful baselines should be reported that allow assessing the multimodal impact on the VLM. To demonstrate the relevance of this framework, we conduct a study on the robustness of various Fine-Tuning (FT) methods across three medical datasets with four types of distribution shifts. Our study highlights key insights into robustness: 1) No FT method consistently outperforms others in robustness, and 2) robustness trends are more stable across FT methods than across distribution shifts. Additionally, we find that simple sanity baselines that do not use the image data can perform surprisingly well and confirm LoRA as the best-performing FT method on in-distribution data. Code is provided at https://github.com/IML-DKFZ/sure-vqa.

Out-of-distribution (OOD) detection is critical for safety-sensitive machine learning applications and has been extensively studied, yielding a plethora of methods developed in the literature. However, most studies for OOD detection did not use pre-trained models and trained a backbone from scratch. In recent years, transferring knowledge from large pre-trained models to downstream tasks by lightweight tuning has become mainstream for training in-distribution (ID) classifiers. To bridge the gap between the practice of OOD detection and current classifiers, the unique and crucial problem is that the samples whose information networks know often come as OOD input. We consider that such data may significantly affect the performance of large pre-trained networks because the discriminability of these OOD data depends on the pre-training algorithm. Here, we define such OOD data as PT-OOD (Pre-Trained OOD) data. In this paper, we aim to reveal the effect of PT-OOD on the OOD detection performance of pre-trained networks from the perspective of pre-training algorithms. To achieve this, we explore the PT-OOD detection performance of supervised and self-supervised pre-training algorithms with linear-probing tuning, the most common efficient tuning method. Through our experiments and analysis, we find that the low linear separability of PT-OOD in the feature space heavily degrades the PT-OOD detection performance, and self-supervised models are more vulnerable to PT-OOD than supervised pre-trained models, even with state-of-the-art detection methods. To solve this vulnerability, we further propose a unique solution to large-scale pre-trained models: Leveraging powerful instance-by-instance discriminative representations of pre-trained models and detecting OOD in the feature space independent of the ID decision boundaries. The code will be available via https://github.com/AtsuMiyai/PT-OOD.

Uncertainty Quantification (UQ) is essential for creating trustworthy machine learning models. Recent years have seen a steep rise in UQ methods that can flag suspicious examples, however, it is often unclear what exactly these methods identify. In this work, we propose a framework for categorizing uncertain examples flagged by UQ methods in classification tasks. We introduce the confusion density matrix -- a kernel-based approximation of the misclassification density -- and use this to categorize suspicious examples identified by a given uncertainty method into three classes: out-of-distribution (OOD) examples, boundary (Bnd) examples, and examples in regions of high in-distribution misclassification (IDM). Through extensive experiments, we show that our framework provides a new and distinct perspective for assessing differences between uncertainty quantification methods, thereby forming a valuable assessment benchmark.

Pre-trained language models (PLMs) are known to improve the generalization performance of natural language understanding models by leveraging large amounts of data during the pre-training phase. However, the out-of-distribution (OOD) generalization problem remains a challenge in many NLP tasks, limiting the real-world deployment of these methods. This paper presents the first attempt at creating a unified benchmark named GLUE-X for evaluating OOD robustness in NLP models, highlighting the importance of OOD robustness and providing insights on how to measure the robustness of a model and how to improve it. The benchmark includes 13 publicly available datasets for OOD testing, and evaluations are conducted on 8 classic NLP tasks over 21 popularly used PLMs, including GPT-3 and GPT-3.5. Our findings confirm the need for improved OOD accuracy in NLP tasks, as significant performance degradation was observed in all settings compared to in-distribution (ID) accuracy.

Large language models (LLMs) with chain-of-thought reasoning have demonstrated remarkable problem-solving capabilities, but controlling their computational effort remains a significant challenge for practical deployment. Recent proprietary systems like OpenAI's gpt-oss series have introduced discrete operational modes for intuitive reasoning control, but the open-source community has largely failed to achieve such capabilities. In this paper, we introduce ThinkDial, the first open-recipe end-to-end framework that successfully implements gpt-oss-style controllable reasoning through discrete operational modes. Our system enables seamless switching between three distinct reasoning regimes: High mode (full reasoning capability), Medium mode (50 percent token reduction with <10 percent performance degradation), and Low mode (75 percent token reduction with <15 percent performance degradation). We achieve this through an end-to-end training paradigm that integrates budget-mode control throughout the entire pipeline: budget-mode supervised fine-tuning that embeds controllable reasoning capabilities directly into the learning process, and two-phase budget-aware reinforcement learning with adaptive reward shaping. Extensive experiments demonstrate that ThinkDial achieves target compression-performance trade-offs with clear response length reductions while maintaining performance thresholds. The framework also exhibits strong generalization capabilities on out-of-distribution tasks.

Vision-Language Models (VLMs) have recently shown promising advancements in sequential decision-making tasks through task-specific fine-tuning. However, common fine-tuning methods, such as Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) techniques like Proximal Policy Optimization (PPO), present notable limitations: SFT assumes Independent and Identically Distributed (IID) data, while PPO focuses on maximizing cumulative rewards. These limitations often restrict solution diversity and hinder generalization in multi-step reasoning tasks. To address these challenges, we introduce a novel framework, GFlowVLM, a framework that fine-tune VLMs using Generative Flow Networks (GFlowNets) to promote generation of diverse solutions for complex reasoning tasks. GFlowVLM models the environment as a non-Markovian decision process, allowing it to capture long-term dependencies essential for real-world applications. It takes observations and task descriptions as inputs to prompt chain-of-thought (CoT) reasoning which subsequently guides action selection. We use task based rewards to fine-tune VLM with GFlowNets. This approach enables VLMs to outperform prior fine-tuning methods, including SFT and RL. Empirical results demonstrate the effectiveness of GFlowVLM on complex tasks such as card games (NumberLine, BlackJack) and embodied planning tasks (ALFWorld), showing enhanced training efficiency, solution diversity, and stronger generalization capabilities across both in-distribution and out-of-distribution scenarios.

Industrial processes must be robust and adaptable, as environments and tasks are often unpredictable, while operational errors remain costly and difficult to detect. AI-based control systems offer a path forward, yet typically depend on supervised learning with extensive labelled datasets, which limits their ability to generalize across variable and data-scarce industrial settings. Foundation models could enable broader reasoning and knowledge integration, but rarely deliver the quantitative precision demanded by engineering applications. Here, we introduceControl and Interpretation of Production via Hybrid Expertise and Reasoning (CIPHER): a vision-language-action (VLA) model framework aiming to replicate human-like reasoning for industrial control, instantiated in a commercial-grade 3D printer. It integrates a process expert, a regression model enabling quantitative characterization of system states required for engineering tasks. CIPHER also incorporates retrieval-augmented generation to access external expert knowledge and support physics-informed, chain-of-thought reasoning. This hybrid architecture exhibits strong generalization to out-of-distribution tasks. It interprets visual or textual inputs from process monitoring, explains its decisions, and autonomously generates precise machine instructions, without requiring explicit annotations. CIPHER thus lays the foundations for autonomous systems that act with precision, reason with context, and communicate decisions transparently, supporting safe and trusted deployment in industrial settings.

Embedding models have been crucial in enabling various downstream tasks such as semantic similarity, information retrieval, and clustering. Recently, there has been a surge of interest in developing universal text embedding models that can generalize across tasks (e.g., MTEB). However, progress in learning universal multimodal embedding models has been relatively slow despite their importance. In this work, we aim to explore the potential for building universal embeddings capable of handling a wide range of downstream tasks. Our contributions are twofold: (1) MMEB (Massive Multimodal Embedding Benchmark), which covers 4 meta-tasks (i.e. classification, visual question answering, multimodal retrieval, and visual grounding) and 36 datasets, including 20 training and 16 evaluation datasets, and (2) VLM2Vec (Vision-Language Model -> Vector), a contrastive training framework that converts any state-of-the-art vision-language model into an embedding model via training on MMEB. Unlike previous models such as CLIP and BLIP, VLM2Vec can process any combination of images and text to generate a fixed-dimensional vector based on task instructions. We build a series of VLM2Vec models on Phi-3.5-V and evaluate them on MMEB's evaluation split. Our results show that \model achieves an absolute average improvement of 10% to 20% over existing multimodal embedding models on both in-distribution and out-of-distribution datasets in MMEB.

Recent empirical studies have explored the idea of continuing to train a model at test-time for a given task, known as test-time training (TTT), and have found it to yield significant performance improvements. However, there is limited understanding of why and when TTT is effective. Earlier explanations mostly focused on the observation that TTT may help when applied to out-of-distribution adaptation or used with privileged data. However, the growing scale of foundation models with most test data being in-distribution questions these explanations. We instead posit that foundation models remain globally underparameterized, with TTT providing a mechanism for specialization after generalization, focusing capacity on concepts relevant to the test task. Specifically, under the linear representation hypothesis, we propose a model in which TTT achieves a substantially smaller in-distribution test error than global training. We empirically validate our model's key assumptions by training a sparse autoencoder on ImageNet, showing that semantically related data points are explained by only a few shared concepts. Finally, we perform scaling studies across image and language tasks that confirm the practical implications of our model, identifying the regimes where specialization is most effective.

Modern paradigms for robot imitation train expressive policy architectures on large amounts of human demonstration data. Yet performance on contact-rich, deformable-object, and long-horizon tasks plateau far below perfect execution, even with thousands of expert demonstrations. This is due to the inefficiency of existing ``expert'' data collection procedures based on human teleoperation. To address this issue, we introduce RaC, a new phase of training on human-in-the-loop rollouts after imitation learning pre-training. In RaC, we fine-tune a robotic policy on human intervention trajectories that illustrate recovery and correction behaviors. Specifically, during a policy rollout, human operators intervene when failure appears imminent, first rewinding the robot back to a familiar, in-distribution state and then providing a corrective segment that completes the current sub-task. Training on this data composition expands the robotic skill repertoire to include retry and adaptation behaviors, which we show are crucial for boosting both efficiency and robustness on long-horizon tasks. Across three real-world bimanual control tasks: shirt hanging, airtight container lid sealing, takeout box packing, and a simulated assembly task, RaC outperforms the prior state-of-the-art using 10times less data collection time and samples. We also show that RaC enables test-time scaling: the performance of the trained RaC policy scales linearly in the number of recovery maneuvers it exhibits. Videos of the learned policy are available at https://rac-scaling-robot.github.io/.

Current self-supervised learning methods for 3D medical imaging rely on simple pretext formulations and organ- or modality-specific datasets, limiting their generalizability and scalability. We present 3DINO, a cutting-edge SSL method adapted to 3D datasets, and use it to pretrain 3DINO-ViT: a general-purpose medical imaging model, on an exceptionally large, multimodal, and multi-organ dataset of ~100,000 3D medical imaging scans from over 10 organs. We validate 3DINO-ViT using extensive experiments on numerous medical imaging segmentation and classification tasks. Our results demonstrate that 3DINO-ViT generalizes across modalities and organs, including out-of-distribution tasks and datasets, outperforming state-of-the-art methods on the majority of evaluation metrics and labeled dataset sizes. Our 3DINO framework and 3DINO-ViT will be made available to enable research on 3D foundation models or further finetuning for a wide range of medical imaging applications.

We present LoCoVQA, a dynamic benchmark generator for evaluating long-context extractive reasoning in vision language models (VLMs). LoCoVQA augments test examples for mathematical reasoning, VQA, and character recognition tasks with increasingly long visual contexts composed of both in-distribution and out-of-distribution distractor images. Across these tasks, a diverse set of VLMs rapidly lose performance as the visual context length grows, often exhibiting a striking exponential decay trend. This test assesses how well VLMs can ignore irrelevant information when answering queries -- a task that is quite easy for language models (LMs) in the text domain -- demonstrating that current state-of-the-art VLMs lack this essential capability for many long-context applications.

Recent advances in monocular depth estimation have been made by incorporating natural language as additional guidance. Although yielding impressive results, the impact of the language prior, particularly in terms of generalization and robustness, remains unexplored. In this paper, we address this gap by quantifying the impact of this prior and introduce methods to benchmark its effectiveness across various settings. We generate "low-level" sentences that convey object-centric, three-dimensional spatial relationships, incorporate them as additional language priors and evaluate their downstream impact on depth estimation. Our key finding is that current language-guided depth estimators perform optimally only with scene-level descriptions and counter-intuitively fare worse with low level descriptions. Despite leveraging additional data, these methods are not robust to directed adversarial attacks and decline in performance with an increase in distribution shift. Finally, to provide a foundation for future research, we identify points of failures and offer insights to better understand these shortcomings. With an increasing number of methods using language for depth estimation, our findings highlight the opportunities and pitfalls that require careful consideration for effective deployment in real-world settings

Machine learning models often excel on in-distribution (ID) data but struggle with unseen out-of-distribution (OOD) inputs. Most techniques for improving OOD robustness are not applicable to settings where the model is effectively a black box, such as when the weights are frozen, retraining is costly, or the model is leveraged via an API. Test-time augmentation (TTA) is a simple post-hoc technique for improving robustness that sidesteps black-box constraints by aggregating predictions across multiple augmentations of the test input. TTA has seen limited use in NLP due to the challenge of generating effective natural language augmentations. In this work, we propose LLM-TTA, which uses LLM-generated augmentations as TTA's augmentation function. LLM-TTA outperforms conventional augmentation functions across sentiment, toxicity, and news classification tasks for BERT and T5 models, with BERT's OOD robustness improving by an average of 4.30 percentage points without regressing average ID performance. We explore selectively augmenting inputs based on prediction entropy to reduce the rate of expensive LLM augmentations, allowing us to maintain performance gains while reducing the average number of generated augmentations by 57.76%. LLM-TTA is agnostic to the task model architecture, does not require OOD labels, and is effective across low and high-resource settings. We share our data, models, and code for reproducibility.

Humans can perceive and reason about spatial relationships from sequential visual observations, such as egocentric video streams. However, how pretrained models acquire such abilities, especially high-level reasoning, remains unclear. This paper introduces Embodied-R, a collaborative framework combining large-scale Vision-Language Models (VLMs) for perception and small-scale Language Models (LMs) for reasoning. Using Reinforcement Learning (RL) with a novel reward system considering think-answer logical consistency, the model achieves slow-thinking capabilities with limited computational resources. After training on only 5k embodied video samples, Embodied-R with a 3B LM matches state-of-the-art multimodal reasoning models (OpenAI-o1, Gemini-2.5-pro) on both in-distribution and out-of-distribution embodied spatial reasoning tasks. Embodied-R also exhibits emergent thinking patterns such as systematic analysis and contextual integration. We further explore research questions including response length, training on VLM, strategies for reward design, and differences in model generalization after SFT (Supervised Fine-Tuning) and RL training.

We show that the effectiveness of the well celebrated Mixup [Zhang et al., 2018] can be further improved if instead of using it as the sole learning objective, it is utilized as an additional regularizer to the standard cross-entropy loss. This simple change not only provides much improved accuracy but also significantly improves the quality of the predictive uncertainty estimation of Mixup in most cases under various forms of covariate shifts and out-of-distribution detection experiments. In fact, we observe that Mixup yields much degraded performance on detecting out-of-distribution samples possibly, as we show empirically, because of its tendency to learn models that exhibit high-entropy throughout; making it difficult to differentiate in-distribution samples from out-distribution ones. To show the efficacy of our approach (RegMixup), we provide thorough analyses and experiments on vision datasets (ImageNet & CIFAR-10/100) and compare it with a suite of recent approaches for reliable uncertainty estimation.

Achieving generalizability in solving out-of-distribution tasks is one of the ultimate goals of learning robotic manipulation. Recent progress of Vision-Language Models (VLMs) has shown that VLM-based task planners can alleviate the difficulty of solving novel tasks, by decomposing the compounded tasks as a plan of sequentially executing primitive-level skills that have been already mastered. It is also promising for robotic manipulation to adapt such composable generalization ability, in the form of composable generalization agents (CGAs). However, the community lacks of reliable design of primitive skills and a sufficient amount of primitive-level data annotations. Therefore, we propose RH20T-P, a primitive-level robotic manipulation dataset, which contains about 38k video clips covering 67 diverse manipulation tasks in real-world scenarios. Each clip is manually annotated according to a set of meticulously designed primitive skills that are common in robotic manipulation. Furthermore, we standardize a plan-execute CGA paradigm and implement an exemplar baseline called RA-P on our RH20T-P, whose positive performance on solving unseen tasks validates that the proposed dataset can offer composable generalization ability to robotic manipulation agents.

Agents navigating in 3D environments require some form of memory, which should hold a compact and actionable representation of the history of observations useful for decision taking and planning. In most end-to-end learning approaches the representation is latent and usually does not have a clearly defined interpretation, whereas classical robotics addresses this with scene reconstruction resulting in some form of map, usually estimated with geometry and sensor models and/or learning. In this work we propose to learn an actionable representation of the scene independently of the targeted downstream task and without explicitly optimizing reconstruction. The learned representation is optimized by a blind auxiliary agent trained to navigate with it on multiple short sub episodes branching out from a waypoint and, most importantly, without any direct visual observation. We argue and show that the blindness property is important and forces the (trained) latent representation to be the only means for planning. With probing experiments we show that the learned representation optimizes navigability and not reconstruction. On downstream tasks we show that it is robust to changes in distribution, in particular the sim2real gap, which we evaluate with a real physical robot in a real office building, significantly improving performance.

Rule-based reasoning has been acknowledged as one of the fundamental problems in reasoning, while deviations in rule formats, types, and complexity in real-world applications pose severe challenges. Recent studies have shown that large reasoning models (LRMs) have remarkable reasoning capabilities, and their performance is substantially enhanced by reinforcement learning (RL). However, it remains an open question whether small reasoning models (SRMs) can learn rule-based reasoning effectively with robust generalization across diverse tasks and domains. To address this, we introduce Reinforced Rule-based Reasoning, a.k.a. RuleReasoner, a simple yet effective method to conduct rule-based reasoning via a wide collection of curated tasks and a novel domain-aware dynamic sampling approach. Specifically, RuleReasoner resamples each training batch by updating the sampling weights of different domains based on historical rewards. This facilitates domain augmentation and flexible online learning schedules for RL, obviating the need for pre-hoc human-engineered mix-training recipes used in existing methods. Empirical evaluations on in-distribution (ID) and out-of-distribution (OOD) benchmarks reveal that RuleReasoner outperforms frontier LRMs by a significant margin (Delta4.1% average points on eight ID tasks and Delta10.4% average points on three OOD tasks over OpenAI-o1). Notably, our approach also exhibits higher computational efficiency compared to prior dynamic sampling methods for RL.

Understanding the dynamics of a physical scene involves reasoning about the diverse ways it can potentially change, especially as a result of local interactions. We present the Flow Poke Transformer (FPT), a novel framework for directly predicting the distribution of local motion, conditioned on sparse interactions termed "pokes". Unlike traditional methods that typically only enable dense sampling of a single realization of scene dynamics, FPT provides an interpretable directly accessible representation of multi-modal scene motion, its dependency on physical interactions and the inherent uncertainties of scene dynamics. We also evaluate our model on several downstream tasks to enable comparisons with prior methods and highlight the flexibility of our approach. On dense face motion generation, our generic pre-trained model surpasses specialized baselines. FPT can be fine-tuned in strongly out-of-distribution tasks such as synthetic datasets to enable significant improvements over in-domain methods in articulated object motion estimation. Additionally, predicting explicit motion distributions directly enables our method to achieve competitive performance on tasks like moving part segmentation from pokes which further demonstrates the versatility of our FPT. Code and models are publicly available at https://compvis.github.io/flow-poke-transformer.

3D Gaussian Splatting (3DGS) has become the de facto method of 3D representation in many vision tasks. This calls for the 3D understanding directly in this representation space. To facilitate the research in this direction, we first build a large-scale dataset of 3DGS using the commonly used ShapeNet and ModelNet datasets. Our dataset ShapeSplat consists of 65K objects from 87 unique categories, whose labels are in accordance with the respective datasets. The creation of this dataset utilized the compute equivalent of 2 GPU years on a TITAN XP GPU. We utilize our dataset for unsupervised pretraining and supervised finetuning for classification and segmentation tasks. To this end, we introduce \textit{Gaussian-MAE}, which highlights the unique benefits of representation learning from Gaussian parameters. Through exhaustive experiments, we provide several valuable insights. In particular, we show that (1) the distribution of the optimized GS centroids significantly differs from the uniformly sampled point cloud (used for initialization) counterpart; (2) this change in distribution results in degradation in classification but improvement in segmentation tasks when using only the centroids; (3) to leverage additional Gaussian parameters, we propose Gaussian feature grouping in a normalized feature space, along with splats pooling layer, offering a tailored solution to effectively group and embed similar Gaussians, which leads to notable improvement in finetuning tasks.

We report DynaCLR, a self-supervised method for embedding cell and organelle Dynamics via Contrastive Learning of Representations of time-lapse images. DynaCLR integrates single-cell tracking and time-aware contrastive sampling to learn robust, temporally regularized representations of cell dynamics. DynaCLR embeddings generalize effectively to in-distribution and out-of-distribution datasets, and can be used for several downstream tasks with sparse human annotations. We demonstrate efficient annotations of cell states with a human-in-the-loop using fluorescence and label-free imaging channels. DynaCLR method enables diverse downstream biological analyses: classification of cell division and infection, clustering heterogeneous cell migration patterns, cross-modal distillation of cell states from fluorescence to label-free channel, alignment of asynchronous cellular responses and broken cell tracks, and discovering organelle response due to infection. DynaCLR is a flexible method for comparative analyses of dynamic cellular responses to pharmacological, microbial, and genetic perturbations. We provide PyTorch-based implementations of the model training and inference pipeline (https://github.com/mehta-lab/viscy) and a GUI (https://github.com/czbiohub-sf/napari-iohub) for the visualization and annotation of trajectories of cells in the real space and the embedding space.

While large language models (LLMs) have shown exceptional capabilities in understanding complex queries and performing sophisticated tasks, their generalization abilities are often deeply entangled with memorization, necessitating more precise evaluation. To address this challenge, we introduce Scylla, a dynamic evaluation framework that quantitatively measures the generalization abilities of LLMs. Scylla disentangles generalization from memorization via assessing model performance on both in-distribution (ID) and out-of-distribution (OOD) data through 20 tasks across 5 levels of complexity. Through extensive experiments, we uncover a non-monotonic relationship between task complexity and the performance gap between ID and OOD data, which we term the generalization valley. Specifically, this phenomenon reveals a critical threshold - referred to as critical complexity - where reliance on non-generalizable behavior peaks, indicating the upper bound of LLMs' generalization capabilities. As model size increases, the critical complexity shifts toward higher levels of task complexity, suggesting that larger models can handle more complex reasoning tasks before over-relying on memorization. Leveraging Scylla and the concept of critical complexity, we benchmark 28LLMs including both open-sourced models such as LLaMA and Qwen families, and close-sourced models like Claude and GPT, providing a more robust evaluation and establishing a clearer understanding of LLMs' generalization capabilities.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

As Large Language Models (LLMs) become increasingly integrated into our daily lives, the potential harms from deceptive behavior underlie the need for faithfully interpreting their decision-making. While traditional probing methods have shown some effectiveness, they remain best for narrowly scoped tasks while more comprehensive explanations are still necessary. To this end, we investigate meta-models-an architecture using a "meta-model" that takes activations from an "input-model" and answers natural language questions about the input-model's behaviors. We evaluate the meta-model's ability to generalize by training them on selected task types and assessing their out-of-distribution performance in deceptive scenarios. Our findings show that meta-models generalize well to out-of-distribution tasks and point towards opportunities for future research in this area. Our code is available at https://github.com/acostarelli/meta-models-public .

Recently, the scale of transformers has grown rapidly, which introduces considerable challenges in terms of training overhead and inference efficiency in the scope of task adaptation. Existing works, namely Parameter-Efficient Fine-Tuning (PEFT) and model compression, have separately investigated the challenges. However, PEFT cannot guarantee the inference efficiency of the original backbone, especially for large-scale models. Model compression requires significant training costs for structure searching and re-training. Consequently, a simple combination of them cannot guarantee accomplishing both training efficiency and inference efficiency with minimal costs. In this paper, we propose a novel Parallel Yielding Re-Activation (PYRA) method for such a challenge of training-inference efficient task adaptation. PYRA first utilizes parallel yielding adaptive weights to comprehensively perceive the data distribution in downstream tasks. A re-activation strategy for token modulation is then applied for tokens to be merged, leading to calibrated token features. Extensive experiments demonstrate that PYRA outperforms all competing methods under both low compression rate and high compression rate, demonstrating its effectiveness and superiority in maintaining both training efficiency and inference efficiency for large-scale foundation models. Our code will be released to the public.

Building credible simulators from data is difficult because structure design, parameter calibration, and out-of-distribution (OOD) robustness are tightly coupled. We introduce SOCIA (Simulation Orchestration for Computational Intelligence with Agents), a framework that treats simulator construction as joint structure-parameter co-optimization: it elicits mechanism-rich blueprints, exposes explicit tunable parameters, and instantiates a calibration schema, producing an executable simulator with built-in calibration hooks. SOCIA couples Bayesian Optimization for sample-efficient point calibration with Simulation-Based Inference for uncertainty-aware fitting; diagnostics trigger targeted structural edits in an outer refinement loop to co-optimize design and parameters under tight budgets. Across three diverse tasks, SOCIA consistently outperforms strong baselines, excelling on both in-distribution (ID) fitting and OOD shift. Ablations that weaken structure, calibration design, or tuning yield near-monotone degradations, underscoring the necessity of unified structure-parameter optimization. We will release the code soon.

For vision-and-language reasoning tasks, both fully connectionist, end-to-end methods and hybrid, neuro-symbolic methods have achieved high in-distribution performance. In which out-of-distribution settings does each paradigm excel? We investigate this question on both single-image and multi-image visual question-answering through four types of generalization tests: a novel segment-combine test for multi-image queries, contrast set, compositional generalization, and cross-benchmark transfer. Vision-and-language end-to-end trained systems exhibit sizeable performance drops across all these tests. Neuro-symbolic methods suffer even more on cross-benchmark transfer from GQA to VQA, but they show smaller accuracy drops on the other generalization tests and their performance quickly improves by few-shot training. Overall, our results demonstrate the complementary benefits of these two paradigms, and emphasize the importance of using a diverse suite of generalization tests to fully characterize model robustness to distribution shift.

A common approach to explain NLP models, is to use importance measures that express which tokens are important for a prediction. Unfortunately, such explanations are often wrong despite being persuasive. Therefore, it is essential to measure their faithfulness. One such metric is if tokens are truly important, then masking them should result in worse model performance. However, token masking introduces out-of-distribution issues and existing solutions are computationally expensive and employ proxy-models. Furthermore, other metrics are very limited in scope. In this work, we propose an inherently faithfulness measurable model that addresses these challenges. This is achieved by using a novel fine-tuning method that incorporates masking, such that masking tokens become in-distribution by design. This differs from existing approaches, which are completely model-agnostic but are inapplicable in practice. We demonstrate the generality of our approach by applying it to various tasks and validate it using statistical in-distribution tests. Additionally, because masking is in-distribution, importance measures which themselves use masking become more faithful, thus our model becomes more explainable.

We introduce Lavender, a simple supervised fine-tuning (SFT) method that boosts the performance of advanced vision-language models (VLMs) by leveraging state-of-the-art image generation models such as Stable Diffusion. Specifically, Lavender aligns the text-vision attention in the VLM transformer with the equivalent used by Stable Diffusion during SFT, instead of adapting separate encoders. This alignment enriches the model's visual understanding and significantly boosts performance across in- and out-of-distribution tasks. Lavender requires just 0.13 million training examples, 2.5% of typical large-scale SFT datasets, and fine-tunes on standard hardware (8 GPUs) in a single day. It consistently improves state-of-the-art open-source multimodal LLMs (e.g., Llama-3.2-11B, MiniCPM-Llama3-v2.5), achieving up to 30% gains and a 68% boost on challenging out-of-distribution medical QA tasks. By efficiently transferring the visual expertise of image generators with minimal supervision, Lavender offers a scalable solution for more accurate vision-language systems. All code, training data, and models will be shared at https://astrazeneca.github.io/vlm/.

Building generalist robot policies that can handle diverse tasks in open-ended environments is a central challenge in robotics. To leverage knowledge from large-scale pretraining, prior work has typically built generalist policies either on top of vision-language understanding models (VLMs) or generative models. However, both semantic understanding from vision-language pretraining and visual dynamics modeling from visual-generation pretraining are crucial for embodied robots. Recent unified models of generation and understanding have demonstrated strong capabilities in both comprehension and generation through large-scale pretraining. We posit that robotic policy learning can likewise benefit from the combined strengths of understanding, planning and continuous future representation learning. Building on this insight, we introduce UniCoD, which acquires the ability to dynamically model high-dimensional visual features through pretraining on over 1M internet-scale instructional manipulation videos. Subsequently, UniCoD is fine-tuned on data collected from the robot embodiment, enabling the learning of mappings from predictive representations to action tokens. Extensive experiments show our approach consistently outperforms baseline methods in terms of 9\% and 12\% across simulation environments and real-world out-of-distribution tasks.

Diffusion models have emerged as a powerful generative method, capable of producing stunning photo-realistic images from natural language descriptions. However, these models lack explicit control over the 3D structure in the generated images. Consequently, this hinders our ability to obtain detailed 3D annotations for the generated images or to craft instances with specific poses and distances. In this paper, we propose 3D Diffusion Style Transfer (3D-DST), which incorporates 3D geometry control into diffusion models. Our method exploits ControlNet, which extends diffusion models by using visual prompts in addition to text prompts. We generate images of the 3D objects taken from 3D shape repositories (e.g., ShapeNet and Objaverse), render them from a variety of poses and viewing directions, compute the edge maps of the rendered images, and use these edge maps as visual prompts to generate realistic images. With explicit 3D geometry control, we can easily change the 3D structures of the objects in the generated images and obtain ground-truth 3D annotations automatically. This allows us to improve a wide range of vision tasks, e.g., classification and 3D pose estimation, in both in-distribution (ID) and out-of-distribution (OOD) settings. We demonstrate the effectiveness of our method through extensive experiments on ImageNet-100/200, ImageNet-R, PASCAL3D+, ObjectNet3D, and OOD-CV. The results show that our method significantly outperforms existing methods, e.g., 3.8 percentage points on ImageNet-100 using DeiT-B.

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two fundamental challenges: (1) Non-uniqueness: there are many different eigendecompositions of the same Laplacian, and (2) Instability: small perturbations to the Laplacian could result in completely different eigenspaces, leading to unpredictable changes in positional encoding. Despite many attempts to address non-uniqueness, most methods overlook stability, leading to poor generalization on unseen graph structures. We identify the cause of instability to be a "hard partition" of eigenspaces. Hence, we introduce Stable and Expressive Positional Encodings (SPE), an architecture for processing eigenvectors that uses eigenvalues to "softly partition" eigenspaces. SPE is the first architecture that is (1) provably stable, and (2) universally expressive for basis invariant functions whilst respecting all symmetries of eigenvectors. Besides guaranteed stability, we prove that SPE is at least as expressive as existing methods, and highly capable of counting graph structures. Finally, we evaluate the effectiveness of our method on molecular property prediction, and out-of-distribution generalization tasks, finding improved generalization compared to existing positional encoding methods.

Recent breakthroughs in large language models (LLMs) have centered around a handful of data-rich languages. What does it take to broaden access to breakthroughs beyond first-class citizen languages? Our work introduces Aya, a massively multilingual generative language model that follows instructions in 101 languages of which over 50% are considered as lower-resourced. Aya outperforms mT0 and BLOOMZ on the majority of tasks while covering double the number of languages. We introduce extensive new evaluation suites that broaden the state-of-art for multilingual eval across 99 languages -- including discriminative and generative tasks, human evaluation, and simulated win rates that cover both held-out tasks and in-distribution performance. Furthermore, we conduct detailed investigations on the optimal finetuning mixture composition, data pruning, as well as the toxicity, bias, and safety of our models. We open-source our instruction datasets and our model at https://hf.co/CohereForAI/aya-101

Multimodal Audio-Language Models (ALMs) can understand and reason over both audio and text. Typically, reasoning performance correlates with model size, with the best results achieved by models exceeding 8 billion parameters. However, no prior work has explored enabling small audio-language models to perform reasoning tasks, despite the potential applications for edge devices. To address this gap, we introduce Mellow, a small Audio-Language Model specifically designed for reasoning. Mellow achieves state-of-the-art performance among existing small audio-language models and surpasses several larger models in reasoning capabilities. For instance, Mellow scores 52.11 on MMAU, comparable to SoTA Qwen2 Audio (which scores 52.5) while using 50 times fewer parameters and being trained on 60 times less data (audio hrs). To train Mellow, we introduce ReasonAQA, a dataset designed to enhance audio-grounded reasoning in models. It consists of a mixture of existing datasets (30% of the data) and synthetically generated data (70%). The synthetic dataset is derived from audio captioning datasets, where Large Language Models (LLMs) generate detailed and multiple-choice questions focusing on audio events, objects, acoustic scenes, signal properties, semantics, and listener emotions. To evaluate Mellow's reasoning ability, we benchmark it on a diverse set of tasks, assessing on both in-distribution and out-of-distribution data, including audio understanding, deductive reasoning, and comparative reasoning. Finally, we conduct extensive ablation studies to explore the impact of projection layer choices, synthetic data generation methods, and language model pretraining on reasoning performance. Our training dataset, findings, and baseline pave the way for developing small ALMs capable of reasoning.

The discovery of novel Ionic Liquids (ILs) is hindered by critical challenges in property prediction, including limited data, poor model accuracy, and fragmented workflows. Leveraging the power of Large Language Models (LLMs), we introduce AIonopedia, to the best of our knowledge, the first LLM agent for IL discovery. Powered by an LLM-augmented multimodal domain foundation model for ILs, AIonopedia enables accurate property predictions and incorporates a hierarchical search architecture for molecular screening and design. Trained and evaluated on a newly curated and comprehensive IL dataset, our model delivers superior performance. Complementing these results, evaluations on literature-reported systems indicate that the agent can perform effective IL modification. Moving beyond offline tests, the practical efficacy was further confirmed through real-world wet-lab validation, in which the agent demonstrated exceptional generalization capabilities on challenging out-of-distribution tasks, underscoring its ability to accelerate real-world IL discovery.

Supervised Fine-Tuning (SFT) on response demonstrations combined with Reinforcement Learning from Human Feedback (RLHF) constitutes a powerful paradigm for aligning LLM-based AI agents. However, a significant limitation of such an approach is its dependency on high-quality human annotations, making its application to intricate tasks challenging due to difficulties in obtaining consistent response demonstrations and in-distribution response preferences. This paper presents a novel approach, namely SALMON (Self-ALignMent with principle-fOllowiNg reward models), to align base language models with minimal human supervision, using only a small set of human-defined principles, yet achieving superior performance. Central to our approach is a principle-following reward model. Trained on synthetic preference data, this model can generate reward scores based on arbitrary human-defined principles. By merely adjusting these principles during the RL training phase, we gain full control over the preferences with the reward model, subsequently influencing the behavior of the RL-trained policies, and eliminating the reliance on the collection of online human preferences. Applying our method to the LLaMA-2-70b base language model, we developed an AI assistant named Dromedary-2. With only 6 exemplars for in-context learning and 31 human-defined principles, Dromedary-2 significantly surpasses the performance of several state-of-the-art AI systems, including LLaMA-2-Chat-70b, on various benchmark datasets. We have open-sourced the code and model weights to encourage further research into aligning LLM-based AI agents with enhanced supervision efficiency, improved controllability, and scalable oversight.

Reinforcement Learning with Verifiable Rewards (RLVR) is a promising paradigm for enhancing the reasoning ability in Large Language Models (LLMs). However, prevailing methods primarily rely on self-exploration or a single off-policy teacher to elicit long chain-of-thought (LongCoT) reasoning, which may introduce intrinsic model biases and restrict exploration, ultimately limiting reasoning diversity and performance. Drawing inspiration from multi-teacher strategies in knowledge distillation, we introduce Adaptive Multi-Guidance Policy Optimization (AMPO), a novel framework that adaptively leverages guidance from multiple proficient teacher models, but only when the on-policy model fails to generate correct solutions. This "guidance-on-demand" approach expands exploration while preserving the value of self-discovery. Moreover, AMPO incorporates a comprehension-based selection mechanism, prompting the student to learn from the reasoning paths that it is most likely to comprehend, thus balancing broad exploration with effective exploitation. Extensive experiments show AMPO substantially outperforms a strong baseline (GRPO), with a 4.3% improvement on mathematical reasoning tasks and 12.2% on out-of-distribution tasks, while significantly boosting Pass@k performance and enabling more diverse exploration. Notably, using four peer-sized teachers, our method achieves comparable results to approaches that leverage a single, more powerful teacher (e.g., DeepSeek-R1) with more data. These results demonstrate a more efficient and scalable path to superior reasoning and generalizability. Our code is available at https://github.com/SII-Enigma/AMPO.

The oracle bone inscription (OBI) recognition plays a significant role in understanding the history and culture of ancient China. However, the existing OBI datasets suffer from a long-tail distribution problem, leading to biased performance of OBI recognition models across majority and minority classes. With recent advancements in generative models, OBI synthesis-based data augmentation has become a promising avenue to expand the sample size of minority classes. Unfortunately, current OBI datasets lack large-scale structure-aligned image pairs for generative model training. To address these problems, we first present the Oracle-P15K, a structure-aligned OBI dataset for OBI generation and denoising, consisting of 14,542 images infused with domain knowledge from OBI experts. Second, we propose a diffusion model-based pseudo OBI generator, called OBIDiff, to achieve realistic and controllable OBI generation. Given a clean glyph image and a target rubbing-style image, it can effectively transfer the noise style of the original rubbing to the glyph image. Extensive experiments on OBI downstream tasks and user preference studies show the effectiveness of the proposed Oracle-P15K dataset and demonstrate that OBIDiff can accurately preserve inherent glyph structures while transferring authentic rubbing styles effectively.

Large language models (LLMs) sometimes fail to respond appropriately to deterministic tasks -- such as counting or forming acronyms -- because the implicit prior distribution they have learned over sequences of tokens influences their responses. In this work, we show that, in at least some cases, LLMs actually compute the information needed to perform these tasks correctly, and we identify some interventions that can allow them to access this information to improve their performance. First, we show that simply prompting the language model to not rely on its prior knowledge leads to dramatic improvements in prior-dominated tasks. We then use mechanistic interpretability techniques to localize the prior within the LLM and manipulate the extent to which that prior influences its responses. Specifically, we show that it is possible to identify layers of the underlying neural network that correlate with the prior probability of a response and that lightweight finetuning of these layers with basic prompts on prior-dominated tasks achieves high performance on held-out answers. These results suggest that the information required to produce a correct response is contained within the representations of the problems formed by the models. Furthermore, we show that this finetuning is significantly more effective for prior-dominated tasks, and that the error after finetuning is no longer correlated with the prior. Our results suggest that it may be possible to define effective methods for manipulating the extent to which LLMs rely upon their priors in solving problems, potentially increasing their performance in settings where LLMs hallucinate for reasons related to the prior probability of token sequences.

Recent advancements in video large multimodal models (LMMs) have significantly improved their video understanding and reasoning capabilities. However, their performance drops on out-of-distribution (OOD) tasks that are underrepresented in training data. Traditional methods like fine-tuning on OOD datasets are impractical due to high computational costs. While In-context learning (ICL) with demonstration examples has shown promising generalization performance in language tasks and image-language tasks without fine-tuning, applying ICL to video-language tasks faces challenges due to the limited context length in Video LMMs, as videos require longer token lengths. To address these issues, we propose VideoICL, a novel video in-context learning framework for OOD tasks that introduces a similarity-based relevant example selection strategy and a confidence-based iterative inference approach. This allows to select the most relevant examples and rank them based on similarity, to be used for inference. If the generated response has low confidence, our framework selects new examples and performs inference again, iteratively refining the results until a high-confidence response is obtained. This approach improves OOD video understanding performance by extending effective context length without incurring high costs. The experimental results on multiple benchmarks demonstrate significant performance gains, especially in domain-specific scenarios, laying the groundwork for broader video comprehension applications. Code will be released at https://github.com/KangsanKim07/VideoICL

Multimodal Large Language Models (MLLMs) have achieved strong performance on general visual benchmarks but struggle with out-of-distribution (OOD) tasks in specialized domains such as medical imaging, where labeled data is limited and expensive. We introduce LEAML, a label-efficient adaptation framework that leverages both scarce labeled VQA samples and abundant unlabeled images. Our approach generates domain-relevant pseudo question-answer pairs for unlabeled data using a QA generator regularized by caption distillation. Importantly, we selectively update only those neurons most relevant to question-answering, enabling the QA Generator to efficiently acquire domain-specific knowledge during distillation. Experiments on gastrointestinal endoscopy and sports VQA demonstrate that LEAML consistently outperforms standard fine-tuning under minimal supervision, highlighting the effectiveness of our proposed LEAML framework.

Language model agents (LMA) recently emerged as a promising paradigm on muti-step decision making tasks, often outperforming humans and other reinforcement learning agents. Despite the promise, their performance on real-world applications that often involve combinations of tasks is still underexplored. In this work, we introduce a new benchmark, called CompWoB -- 50 new compositional web automation tasks reflecting more realistic assumptions. We show that while existing prompted LMAs (gpt-3.5-turbo or gpt-4) achieve 94.0% average success rate on base tasks, their performance degrades to 24.9% success rate on compositional tasks. On the other hand, transferred LMAs (finetuned only on base tasks) show less generalization gap, dropping from 85.4% to 54.8%. By balancing data distribution across tasks, we train a new model, HTML-T5++, that surpasses human-level performance (95.2%) on MiniWoB, and achieves the best zero-shot performance on CompWoB (61.5%). While these highlight the promise of small-scale finetuned and transferred models for compositional generalization, their performance further degrades under different instruction compositions changing combinational order. In contrast to the recent remarkable success of LMA, our benchmark and detailed analysis emphasize the necessity of building LMAs that are robust and generalizable to task compositionality for real-world deployment.

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

Scaling inference compute enhances reasoning in large language models (LLMs), with long chains-of-thought (CoTs) enabling strategies like backtracking and error correction. Reinforcement learning (RL) has emerged as a crucial method for developing these capabilities, yet the conditions under which long CoTs emerge remain unclear, and RL training requires careful design choices. In this study, we systematically investigate the mechanics of long CoT reasoning, identifying the key factors that enable models to generate long CoT trajectories. Through extensive supervised fine-tuning (SFT) and RL experiments, we present four main findings: (1) While SFT is not strictly necessary, it simplifies training and improves efficiency; (2) Reasoning capabilities tend to emerge with increased training compute, but their development is not guaranteed, making reward shaping crucial for stabilizing CoT length growth; (3) Scaling verifiable reward signals is critical for RL. We find that leveraging noisy, web-extracted solutions with filtering mechanisms shows strong potential, particularly for out-of-distribution (OOD) tasks such as STEM reasoning; and (4) Core abilities like error correction are inherently present in base models, but incentivizing these skills effectively for complex tasks via RL demands significant compute, and measuring their emergence requires a nuanced approach. These insights provide practical guidance for optimizing training strategies to enhance long CoT reasoning in LLMs. Our code is available at: https://github.com/eddycmu/demystify-long-cot.

Reinforcement Learning with Verifiable Reward (RLVR) has significantly advanced the complex reasoning abilities of Large Language Models (LLMs). However, it struggles to break through the inherent capability boundaries of the base LLM, due to its essentially on-policy strategy coupled with LLM's immense action space and sparse reward. Critically, RLVR can lead to the capability boundary collapse, narrowing the LLM's problem-solving scope. To address this problem, we propose RL-PLUS, a novel hybrid-policy optimization approach for LLMs that synergizes internal exploitation with external data to achieve stronger reasoning capabilities and surpass the boundaries of base models. RL-PLUS integrates two core components, i.e., Multiple Importance Sampling to address distributional mismatch from external data, and Exploration-Based Advantage Function to guide the model towards high-value, unexplored reasoning paths. We provide both theoretical analysis and extensive experiments to demonstrate the superiority and generalizability of our approach. Compared with existing RLVR methods, RL-PLUS achieves 1) state-of-the-art performance on six math reasoning benchmarks; 2) superior performance on six out-of-distribution reasoning tasks; 3) consistent and significant gains across diverse model families, with average relative improvements up to 69.2\%. Moreover, the analysis of Pass@k curves indicates that RL-PLUS effectively resolves the capability boundary collapse problem.

To further enhance the ability of Large Language Models (LLMs) to solve complex, multi-step reasoning problems, test-time scaling (TTS) methods have gained widespread attention. Existing approaches such as Best-of-N and majority voting are limited as their performance depends on the quality of candidate responses, making them unable to produce a correct solution when all candidates are incorrect. Introducing an additional model to select the best response also incurs significant deployment costs. To this end, we introduce Generative Self-Refinement (GSR), a novel parallel test-time scaling framework where a unified model first generates a set of candidate responses in parallel and then performs self-refinement to synthesize a new superior solution based on a prompt consisting of the problem and these candidates. However, LLMs struggle to perform refinement effectively when prompted directly. Therefore, we design a hybrid training pipeline by jointly optimizing for two complementary objectives, solving problems directly and refining candidate responses. Experimental results demonstrate that our method achieves state-of-the-art performance across five mathematical benchmarks. We further show that this learned self-refinement skill is a model-agnostic enhancement, robust across different model scales and generalizing to out-of-distribution reasoning tasks.

We study the problem of planning under model uncertainty in an online meta-reinforcement learning (RL) setting where an agent is presented with a sequence of related tasks with limited interactions per task. The agent can use its experience in each task and across tasks to estimate both the transition model and the distribution over tasks. We propose an algorithm to meta-learn the underlying structure across tasks, utilize it to plan in each task, and upper-bound the regret of the planning loss. Our bound suggests that the average regret over tasks decreases as the number of tasks increases and as the tasks are more similar. In the classical single-task setting, it is known that the planning horizon should depend on the estimated model's accuracy, that is, on the number of samples within task. We generalize this finding to meta-RL and study this dependence of planning horizons on the number of tasks. Based on our theoretical findings, we derive heuristics for selecting slowly increasing discount factors, and we validate its significance empirically.

Although soft prompt tuning is effective in efficiently adapting Vision-Language (V&L) models for downstream tasks, it shows limitations in dealing with distribution shifts. We address this issue with Attribute-Guided Prompt Tuning (ArGue), making three key contributions. 1) In contrast to the conventional approach of directly appending soft prompts preceding class names, we align the model with primitive visual attributes generated by Large Language Models (LLMs). We posit that a model's ability to express high confidence in these attributes signifies its capacity to discern the correct class rationales. 2) We introduce attribute sampling to eliminate disadvantageous attributes, thus only semantically meaningful attributes are preserved. 3) We propose negative prompting, explicitly enumerating class-agnostic attributes to activate spurious correlations and encourage the model to generate highly orthogonal probability distributions in relation to these negative features. In experiments, our method significantly outperforms current state-of-the-art prompt tuning methods on both novel class prediction and out-of-distribution generalization tasks.

Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph neural networks (HGNNs) have achieved state-of-the-art performance by considering relation heterogeneity and using specialized message functions and aggregation rules. However, existing frameworks for heterogeneous graph learning have limitations in generalizing across diverse heterogeneous graph datasets. Most of these frameworks follow the "pre-train" and "fine-tune" paradigm on the same dataset, which restricts their capacity to adapt to new and unseen data. This raises the question: "Can we generalize heterogeneous graph models to be well-adapted to diverse downstream learning tasks with distribution shifts in both node token sets and relation type heterogeneity?'' To tackle those challenges, we propose HiGPT, a general large graph model with Heterogeneous graph instruction-tuning paradigm. Our framework enables learning from arbitrary heterogeneous graphs without the need for any fine-tuning process from downstream datasets. To handle distribution shifts in heterogeneity, we introduce an in-context heterogeneous graph tokenizer that captures semantic relationships in different heterogeneous graphs, facilitating model adaptation. We incorporate a large corpus of heterogeneity-aware graph instructions into our HiGPT, enabling the model to effectively comprehend complex relation heterogeneity and distinguish between various types of graph tokens. Furthermore, we introduce the Mixture-of-Thought (MoT) instruction augmentation paradigm to mitigate data scarcity by generating diverse and informative instructions. Through comprehensive evaluations, our proposed framework demonstrates exceptional performance in terms of generalization performance.

Reward models trained on human preference data have been proven to be effective for aligning Large Language Models (LLMs) with human intent within the reinforcement learning from human feedback (RLHF) framework. However, the generalization capabilities of current reward models to unseen prompts and responses are limited. This limitation can lead to an unexpected phenomenon known as reward over-optimization, where excessive optimization of rewards results in a decline in actual performance. While previous research has advocated for constraining policy optimization, our study proposes a novel approach to enhance the reward model's generalization ability against distribution shifts by regularizing the hidden states. Specifically, we retain the base model's language model head and incorporate a suite of text-generation losses to preserve the hidden states' text generation capabilities, while concurrently learning a reward head behind the same hidden states. Our experimental results demonstrate that the introduced regularization technique markedly improves the accuracy of learned reward models across a variety of out-of-distribution (OOD) tasks and effectively alleviate the over-optimization issue in RLHF, offering a more reliable and robust preference learning paradigm.

Ensuring safe and effective use of AI requires understanding and anticipating its performance on novel tasks, from advanced scientific challenges to transformed workplace activities. So far, benchmarking has guided progress in AI, but it has offered limited explanatory and predictive power for general-purpose AI systems, given the low transferability across diverse tasks. In this paper, we introduce general scales for AI evaluation that can explain what common AI benchmarks really measure, extract ability profiles of AI systems, and predict their performance for new task instances, in- and out-of-distribution. Our fully-automated methodology builds on 18 newly-crafted rubrics that place instance demands on general scales that do not saturate. Illustrated for 15 large language models and 63 tasks, high explanatory power is unleashed from inspecting the demand and ability profiles, bringing insights on the sensitivity and specificity exhibited by different benchmarks, and how knowledge, metacognition and reasoning are affected by model size, chain-of-thought and distillation. Surprisingly, high predictive power at the instance level becomes possible using these demand levels, providing superior estimates over black-box baseline predictors based on embeddings or finetuning, especially in out-of-distribution settings (new tasks and new benchmarks). The scales, rubrics, battery, techniques and results presented here represent a major step for AI evaluation, underpinning the reliable deployment of AI in the years ahead. (Collaborative platform: https://kinds-of-intelligence-cfi.github.io/ADELE.)

A wide range of reinforcement learning (RL) problems - including robustness, transfer learning, unsupervised RL, and emergent complexity - require specifying a distribution of tasks or environments in which a policy will be trained. However, creating a useful distribution of environments is error prone, and takes a significant amount of developer time and effort. We propose Unsupervised Environment Design (UED) as an alternative paradigm, where developers provide environments with unknown parameters, and these parameters are used to automatically produce a distribution over valid, solvable environments. Existing approaches to automatically generating environments suffer from common failure modes: domain randomization cannot generate structure or adapt the difficulty of the environment to the agent's learning progress, and minimax adversarial training leads to worst-case environments that are often unsolvable. To generate structured, solvable environments for our protagonist agent, we introduce a second, antagonist agent that is allied with the environment-generating adversary. The adversary is motivated to generate environments which maximize regret, defined as the difference between the protagonist and antagonist agent's return. We call our technique Protagonist Antagonist Induced Regret Environment Design (PAIRED). Our experiments demonstrate that PAIRED produces a natural curriculum of increasingly complex environments, and PAIRED agents achieve higher zero-shot transfer performance when tested in highly novel environments.

A key contributor to recent progress in 3D detection from single images is monocular depth estimation. Existing methods focus on how to leverage depth explicitly, by generating pseudo-pointclouds or providing attention cues for image features. More recent works leverage depth prediction as a pretraining task and fine-tune the depth representation while training it for 3D detection. However, the adaptation is insufficient and is limited in scale by manual labels. In this work, we propose to further align depth representation with the target domain in unsupervised fashions. Our methods leverage commonly available LiDAR or RGB videos during training time to fine-tune the depth representation, which leads to improved 3D detectors. Especially when using RGB videos, we show that our two-stage training by first generating pseudo-depth labels is critical because of the inconsistency in loss distribution between the two tasks. With either type of reference data, our multi-task learning approach improves over the state of the art on both KITTI and NuScenes, while matching the test-time complexity of its single task sub-network.

Deep learning has recently achieved initial success in program analysis tasks such as bug detection. Lacking real bugs, most existing works construct training and test data by injecting synthetic bugs into correct programs. Despite achieving high test accuracy (e.g., 90%), the resulting bug detectors are found to be surprisingly unusable in practice, i.e., <10% precision when used to scan real software repositories. In this work, we argue that this massive performance difference is caused by a distribution shift, i.e., a fundamental mismatch between the real bug distribution and the synthetic bug distribution used to train and evaluate the detectors. To address this key challenge, we propose to train a bug detector in two phases, first on a synthetic bug distribution to adapt the model to the bug detection domain, and then on a real bug distribution to drive the model towards the real distribution. During these two phases, we leverage a multi-task hierarchy, focal loss, and contrastive learning to further boost performance. We evaluate our approach extensively on three widely studied bug types, for which we construct new datasets carefully designed to capture the real bug distribution. The results demonstrate that our approach is practically effective and successfully mitigates the distribution shift: our learned detectors are highly performant on both our test set and the latest version of open source repositories. Our code, datasets, and models are publicly available at https://github.com/eth-sri/learning-real-bug-detector.

Quality Estimation (QE) models evaluate the quality of machine translations without reference translations, serving as the reward models for the translation task. Due to the data scarcity, synthetic data generation has emerged as a promising solution. However, synthetic QE data often suffers from distribution shift, which can manifest as discrepancies between pseudo and real translations, or in pseudo labels that do not align with human preferences. To tackle this issue, we introduce DCSQE, a novel framework for alleviating distribution shift in synthetic QE data. To reduce the difference between pseudo and real translations, we employ the constrained beam search algorithm and enhance translation diversity through the use of distinct generation models. DCSQE uses references, i.e., translation supervision signals, to guide both the generation and annotation processes, enhancing the quality of token-level labels. DCSQE further identifies the shortest phrase covering consecutive error tokens, mimicking human annotation behavior, to assign the final phrase-level labels. Specially, we underscore that the translation model can not annotate translations of itself accurately. Extensive experiments demonstrate that DCSQE outperforms SOTA baselines like CometKiwi in both supervised and unsupervised settings. Further analysis offers insights into synthetic data generation that could benefit reward models for other tasks. The code is available at https://github.com/NJUNLP/njuqe.

We consider the two related problems of detecting if an example is misclassified or out-of-distribution. We present a simple baseline that utilizes probabilities from softmax distributions. Correctly classified examples tend to have greater maximum softmax probabilities than erroneously classified and out-of-distribution examples, allowing for their detection. We assess performance by defining several tasks in computer vision, natural language processing, and automatic speech recognition, showing the effectiveness of this baseline across all. We then show the baseline can sometimes be surpassed, demonstrating the room for future research on these underexplored detection tasks.

The surge in Large Language Models (LLMs) has revolutionized natural language processing, but fine-tuning them for specific tasks often encounters challenges in balancing performance and preserving general instruction-following abilities. In this paper, we posit that the distribution gap between task datasets and the LLMs serves as the primary underlying cause. To address the problem, we introduce Self-Distillation Fine-Tuning (SDFT), a novel approach that bridges the distribution gap by guiding fine-tuning with a distilled dataset generated by the model itself to match its original distribution. Experimental results on the Llama-2-chat model across various benchmarks demonstrate that SDFT effectively mitigates catastrophic forgetting while achieving comparable or superior performance on downstream tasks compared to the vanilla fine-tuning. Moreover, SDFT demonstrates the potential to maintain the helpfulness and safety alignment of LLMs. Our code is available at https://github.com/sail-sg/sdft.

Pre-trained language models (PLMs) have become a prevalent technique in deep learning for code, utilizing a two-stage pre-training and fine-tuning procedure to acquire general knowledge about code and specialize in a variety of downstream tasks. However, the dynamic nature of software codebases poses a challenge to the effectiveness and robustness of PLMs. In particular, world-realistic scenarios potentially lead to significant differences between the distribution of the pre-training and test data, i.e., distribution shift, resulting in a degradation of the PLM's performance on downstream tasks. In this paper, we stress the need for adapting PLMs of code to software data whose distribution changes over time, a crucial problem that has been overlooked in previous works. The motivation of this work is to consider the PLM in a non-stationary environment, where fine-tuning data evolves over time according to a software evolution scenario. Specifically, we design a scenario where the model needs to learn from a stream of programs containing new, unseen APIs over time. We study two widely used PLM architectures, i.e., a GPT2 decoder and a RoBERTa encoder, on two downstream tasks, API call and API usage prediction. We demonstrate that the most commonly used fine-tuning technique from prior work is not robust enough to handle the dynamic nature of APIs, leading to the loss of previously acquired knowledge i.e., catastrophic forgetting. To address these issues, we implement five continual learning approaches, including replay-based and regularization-based methods. Our findings demonstrate that utilizing these straightforward methods effectively mitigates catastrophic forgetting in PLMs across both downstream tasks while achieving comparable or superior performance.

Histograms provide a powerful means of summarizing large data sets by representing their distribution in a compact, binned form. The HistogramTools R package enhances R built-in histogram functionality, offering advanced methods for manipulating and analyzing histograms, especially in large-scale data environments. Key features include the ability to serialize histograms using Protocol Buffers for distributed computing tasks, tools for merging and modifying histograms, and techniques for measuring and visualizing information loss in histogram representations. The package is particularly suited for environments utilizing MapReduce, where efficient storage and data sharing are critical. This paper presents various methods of histogram bin manipulation, distance measures, quantile approximation, and error estimation in cumulative distribution functions (CDFs) derived from histograms. Visualization techniques and efficient storage representations are also discussed alongside applications for large data processing and distributed computing tasks.

Handling distribution shifts from training data, known as out-of-distribution (OOD) generalization, poses a significant challenge in the field of machine learning. While a pre-trained vision-language model like CLIP has demonstrated remarkable zero-shot performance, further adaptation of the model to downstream tasks leads to undesirable degradation for OOD data. In this work, we introduce Sparse Adaptation for Fine-Tuning (SAFT), a method that prevents fine-tuning from forgetting the general knowledge in the pre-trained model. SAFT only updates a small subset of important parameters whose gradient magnitude is large, while keeping the other parameters frozen. SAFT is straightforward to implement and conceptually simple. Extensive experiments show that with only 0.1% of the model parameters, SAFT can significantly improve the performance of CLIP. It consistently outperforms baseline methods across several benchmarks. On the few-shot learning benchmark of ImageNet and its variants, SAFT gives a gain of 5.15% on average over the conventional fine-tuning method in OOD settings.

We present a new zero-shot dense retrieval (ZeroDR) method, COCO-DR, to improve the generalization ability of dense retrieval by combating the distribution shifts between source training tasks and target scenarios. To mitigate the impact of document differences, COCO-DR continues pretraining the language model on the target corpora to adapt the model to target distributions via COtinuous COtrastive learning. To prepare for unseen target queries, COCO-DR leverages implicit Distributionally Robust Optimization (iDRO) to reweight samples from different source query clusters for improving model robustness over rare queries during fine-tuning. COCO-DR achieves superior average performance on BEIR, the zero-shot retrieval benchmark. At BERT Base scale, COCO-DR Base outperforms other ZeroDR models with 60x larger size. At BERT Large scale, COCO-DR Large outperforms the giant GPT-3 embedding model which has 500x more parameters. Our analysis show the correlation between COCO-DR's effectiveness in combating distribution shifts and improving zero-shot accuracy. Our code and model can be found at https://github.com/OpenMatch/COCO-DR.

Data-free Knowledge Distillation (DFKD) has gained popularity recently, with the fundamental idea of carrying out knowledge transfer from a Teacher neural network to a Student neural network in the absence of training data. However, in the Adversarial DFKD framework, the student network's accuracy, suffers due to the non-stationary distribution of the pseudo-samples under multiple generator updates. To this end, at every generator update, we aim to maintain the student's performance on previously encountered examples while acquiring knowledge from samples of the current distribution. Thus, we propose a meta-learning inspired framework by treating the task of Knowledge-Acquisition (learning from newly generated samples) and Knowledge-Retention (retaining knowledge on previously met samples) as meta-train and meta-test, respectively. Hence, we dub our method as Learning to Retain while Acquiring. Moreover, we identify an implicit aligning factor between the Knowledge-Retention and Knowledge-Acquisition tasks indicating that the proposed student update strategy enforces a common gradient direction for both tasks, alleviating interference between the two objectives. Finally, we support our hypothesis by exhibiting extensive evaluation and comparison of our method with prior arts on multiple datasets.

Climate change is negatively impacting the world's biodiversity. To build automated systems to monitor these negative biodiversity impacts, large-scale, volunteer-collected datasets like iNaturalist are built from community-identified, natural imagery. However, such volunteer-based data are opportunistic and lack a structured sampling strategy, resulting in geographic, temporal, observation quality, and socioeconomic, biases that stymie uptake of these models for downstream biodiversity monitoring tasks. Here we introduce DivShift North American West Coast (DivShift-NAWC), a curated dataset of almost 8 million iNaturalist plant images across the western coast of North America, for exploring the effects of these biases on deep learning model performance. We compare model performance across four known biases and observe that they indeed confound model performance. We suggest practical strategies for curating datasets to train deep learning models for monitoring climate change's impacts on the world's biodiversity.

The advent of pre-trained Language Models (LMs) has markedly advanced natural language processing, but their efficacy in out-of-distribution (OOD) scenarios remains a significant challenge. Computational argumentation (CA), modeling human argumentation processes, is a field notably impacted by these challenges because complex annotation schemes and high annotation costs naturally lead to resources barely covering the multiplicity of available text sources and topics. Due to this data scarcity, generalization to data from uncovered covariant distributions is a common challenge for CA tasks like stance detection or argument classification. This work systematically assesses LMs' capabilities for such OOD scenarios. While previous work targets specific OOD types like topic shifts or OOD uniformly, we address three prevalent OOD scenarios in CA: topic shift, domain shift, and language shift. Our findings challenge the previously asserted general superiority of in-context learning (ICL) for OOD. We find that the efficacy of such learning paradigms varies with the type of OOD. Specifically, while ICL excels for domain shifts, prompt-based fine-tuning surpasses for topic shifts. To sum up, we navigate the heterogeneity of OOD scenarios in CA and empirically underscore the potential of base-sized LMs in overcoming these challenges.

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Large transformer models trained on diverse datasets have shown a remarkable ability to learn in-context, achieving high few-shot performance on tasks they were not explicitly trained to solve. In this paper, we study the in-context learning capabilities of transformers in decision-making problems, i.e., reinforcement learning (RL) for bandits and Markov decision processes. To do so, we introduce and study Decision-Pretrained Transformer (DPT), a supervised pretraining method where the transformer predicts an optimal action given a query state and an in-context dataset of interactions, across a diverse set of tasks. This procedure, while simple, produces a model with several surprising capabilities. We find that the pretrained transformer can be used to solve a range of RL problems in-context, exhibiting both exploration online and conservatism offline, despite not being explicitly trained to do so. The model also generalizes beyond the pretraining distribution to new tasks and automatically adapts its decision-making strategies to unknown structure. Theoretically, we show DPT can be viewed as an efficient implementation of Bayesian posterior sampling, a provably sample-efficient RL algorithm. We further leverage this connection to provide guarantees on the regret of the in-context algorithm yielded by DPT, and prove that it can learn faster than algorithms used to generate the pretraining data. These results suggest a promising yet simple path towards instilling strong in-context decision-making abilities in transformers.

Language model (LM) decoding is based on the next-token prediction (NTP) probability distribution. For neural LMs (e.g., Transformer-based), NTP distribution is essentially a softmax-regularized dot product between an encoded input context (query) and fixed vocabulary representations (keys). In this paper, we study the effect of the key distribution on the NTP distribution, with a focus on whether the similarity between keys will trigger spurious correlations in NTP. Through knowledge-probing tasks, we show that in the NTP distribution, the few top-ranked tokens are typically accurate. However, the middle-ranked prediction is highly biased towards the tokens that are distributionally (not necessarily semantically) similar to these top ones. For instance, if "P" is predicted as the top-1 token, "A"-"Z" will all be ranked high in NTP, no matter whether they can lead to correct decoding results. This hurts the sampling diversity and makes the sampling of correct, long-tail results hopeless and noisy. We attempt to alleviate this issue via a novel in-context method that iteratively pushes the query representation away from explored regions. Specifically, we include the explored decoding results in the context and prompt the LM to generate something else, which encourages the LM to produce a query representation that has small dot products with explored keys. Experiments on knowledge-probing tasks show that our method leads to efficient navigation away from explored keys to correct new keys. We further extend our method to open-ended and chain-of-thought (for reasoning) generation. Experiment results show that ICN contributes to better generation diversity and improved self-consistency voting performance. Finally, we discuss potential training issues caused by the fixed key space together with the challenges and possible ways to address them in future research.

Multi-source domain adaptation has been intensively studied. The distribution shift in features inherent to specific domains causes the negative transfer problem, degrading a model's generality to unseen tasks. In Federated Learning (FL), learned model parameters are shared to train a global model that leverages the underlying knowledge across client models trained on separate data domains. Nonetheless, the data confidentiality of FL hinders the effectiveness of traditional domain adaptation methods that require prior knowledge of different domain data. We propose a new federated domain generalization method called Federated Knowledge Alignment (FedKA). FedKA leverages feature distribution matching in a global workspace such that the global model can learn domain-invariant client features under the constraint of unknown client data. FedKA employs a federated voting mechanism that generates target domain pseudo-labels based on the consensus from clients to facilitate global model fine-tuning. We performed extensive experiments, including an ablation study, to evaluate the effectiveness of the proposed method in both image and text classification tasks using different model architectures. The empirical results show that FedKA achieves performance gains of 8.8% and 3.5% in Digit-Five and Office-Caltech10, respectively, and a gain of 0.7% in Amazon Review with extremely limited training data. Moreover, we studied the effectiveness of FedKA in alleviating the negative transfer of FL based on a new criterion called Group Effect. The results show that FedKA can reduce negative transfer, improving the performance gain via model aggregation by 4 times.

In this paper, we introduce Knowledge-Orthogonal Reasoning (KOR), which minimizes the impact of domain-specific knowledge for a more accurate evaluation of models' reasoning abilities in out-of-distribution scenarios. Based on this concept, we propose the Knowledge-Orthogonal Reasoning Benchmark (KOR-Bench), encompassing five task categories: Operation, Logic, Cipher, Puzzle, and Counterfactual. KOR-Bench emphasizes the effectiveness of models in applying new rule descriptions to solve novel rule-driven questions, revealing that top-performing models like Claude-3.5-Sonnet and GPT-4o only achieve 58.96% and 58.00% accuracy, respectively. We conduct thorough analyses to identify bottlenecks in the Cipher task using Stepwise Prompting, discovering that two rounds of Self-Correction yield optimal results. Complex Task Processing evaluates model performance across three integrated tasks, while we also explore the impact of Tricks on the Puzzle task and visualize rule-focused attention to enhance our understanding of model behavior. We aim for KOR-Bench to be a valuable resource for enhancing models' reasoning capabilities and fostering further research in this field.

The ability to extrapolate from short problem instances to longer ones is an important form of out-of-distribution generalization in reasoning tasks, and is crucial when learning from datasets where longer problem instances are rare. These include theorem proving, solving quantitative mathematics problems, and reading/summarizing novels. In this paper, we run careful empirical studies exploring the length generalization capabilities of transformer-based language models. We first establish that naively finetuning transformers on length generalization tasks shows significant generalization deficiencies independent of model scale. We then show that combining pretrained large language models' in-context learning abilities with scratchpad prompting (asking the model to output solution steps before producing an answer) results in a dramatic improvement in length generalization. We run careful failure analyses on each of the learning modalities and identify common sources of mistakes that highlight opportunities in equipping language models with the ability to generalize to longer problems.

Structured state space sequence (S4) models have recently achieved state-of-the-art performance on long-range sequence modeling tasks. These models also have fast inference speeds and parallelisable training, making them potentially useful in many reinforcement learning settings. We propose a modification to a variant of S4 that enables us to initialise and reset the hidden state in parallel, allowing us to tackle reinforcement learning tasks. We show that our modified architecture runs asymptotically faster than Transformers in sequence length and performs better than RNN's on a simple memory-based task. We evaluate our modified architecture on a set of partially-observable environments and find that, in practice, our model outperforms RNN's while also running over five times faster. Then, by leveraging the model's ability to handle long-range sequences, we achieve strong performance on a challenging meta-learning task in which the agent is given a randomly-sampled continuous control environment, combined with a randomly-sampled linear projection of the environment's observations and actions. Furthermore, we show the resulting model can adapt to out-of-distribution held-out tasks. Overall, the results presented in this paper show that structured state space models are fast and performant for in-context reinforcement learning tasks. We provide code at https://github.com/luchris429/popjaxrl.

Vision language models (VLMs) have demonstrated impressive performance across a wide range of downstream tasks. However, their proficiency in spatial reasoning remains limited, despite its crucial role in tasks involving navigation and interaction with physical environments. Specifically, most of these tasks rely on the core spatial reasoning capabilities in two-dimensional (2D) environments, and our evaluation reveals that state-of-the-art VLMs frequently generate implausible and incorrect responses to composite spatial reasoning problems, including simple pathfinding tasks that humans can solve effortlessly at a glance. To address this, we explore an effective approach to enhance 2D spatial reasoning within VLMs by training the model solely on basic spatial capabilities. We begin by disentangling the key components of 2D spatial reasoning: direction comprehension, distance estimation, and localization. Our central hypothesis is that mastering these basic spatial capabilities can significantly enhance a model's performance on composite spatial tasks requiring advanced spatial understanding and combinatorial problem-solving, with generalized improvements in visual-spatial tasks. To investigate this hypothesis, we introduce Sparkle, a framework that fine-tunes VLMs on these three basic spatial capabilities by synthetic data generation and targeted supervision to form an instruction dataset for each capability. Our experiments demonstrate that VLMs fine-tuned with Sparkle achieve significant performance gains, not only in the basic tasks themselves but also in generalizing to composite and out-of-distribution spatial reasoning tasks. These findings underscore the effectiveness of mastering basic spatial capabilities in enhancing composite spatial problem-solving, offering insights into systematic strategies for improving VLMs' spatial reasoning capabilities.

In this paper, we propose Test-Time Training, a general approach for improving the performance of predictive models when training and test data come from different distributions. We turn a single unlabeled test sample into a self-supervised learning problem, on which we update the model parameters before making a prediction. This also extends naturally to data in an online stream. Our simple approach leads to improvements on diverse image classification benchmarks aimed at evaluating robustness to distribution shifts.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

Despite their success in various vision tasks, deep neural network architectures often underperform in out-of-distribution scenarios due to the difference between training and target domain style. To address this limitation, we introduce One-Shot Style Adaptation (OSSA), a novel unsupervised domain adaptation method for object detection that utilizes a single, unlabeled target image to approximate the target domain style. Specifically, OSSA generates diverse target styles by perturbing the style statistics derived from a single target image and then applies these styles to a labeled source dataset at the feature level using Adaptive Instance Normalization (AdaIN). Extensive experiments show that OSSA establishes a new state-of-the-art among one-shot domain adaptation methods by a significant margin, and in some cases, even outperforms strong baselines that use thousands of unlabeled target images. By applying OSSA in various scenarios, including weather, simulated-to-real (sim2real), and visual-to-thermal adaptations, our study explores the overarching significance of the style gap in these contexts. OSSA's simplicity and efficiency allow easy integration into existing frameworks, providing a potentially viable solution for practical applications with limited data availability. Code is available at https://github.com/RobinGerster7/OSSA

Detecting AI-involved text is essential for combating misinformation, plagiarism, and academic misconduct. However, AI text generation includes diverse collaborative processes (AI-written text edited by humans, human-written text edited by AI, and AI-generated text refined by other AI), where various or even new LLMs could be involved. Texts generated through these varied processes exhibit complex characteristics, presenting significant challenges for detection. Current methods model these processes rather crudely, primarily employing binary classification (purely human vs. AI-involved) or multi-classification (treating human-AI collaboration as a new class). We observe that representations of texts generated through different processes exhibit inherent clustering relationships. Therefore, we propose DETree, a novel approach that models the relationships among different processes as a Hierarchical Affinity Tree structure, and introduces a specialized loss function that aligns text representations with this tree. To facilitate this learning, we developed RealBench, a comprehensive benchmark dataset that automatically incorporates a wide spectrum of hybrid texts produced through various human-AI collaboration processes. Our method improves performance in hybrid text detection tasks and significantly enhances robustness and generalization in out-of-distribution scenarios, particularly in few-shot learning conditions, further demonstrating the promise of training-based approaches in OOD settings. Our code and dataset are available at https://github.com/heyongxin233/DETree.

Knowledge distillation (KD) is widely used for compressing a teacher model to reduce its inference cost and memory footprint, by training a smaller student model. However, current KD methods for auto-regressive sequence models suffer from distribution mismatch between output sequences seen during training and those generated by the student during inference. To address this issue, we introduce Generalized Knowledge Distillation (GKD). Instead of solely relying on a fixed set of output sequences, GKD trains the student on its self-generated output sequences by leveraging feedback from the teacher on such sequences. Unlike supervised KD approaches, GKD also offers the flexibility to employ alternative loss functions between the student and teacher, which can be useful when the student lacks the expressivity to mimic the teacher's distribution. Furthermore, GKD facilitates the seamless integration of distillation with RL fine-tuning (RLHF). We demonstrate the efficacy of GKD for distilling auto-regressive language models on summarization, translation, and arithmetic reasoning tasks, and task-agnostic distillation for instruction-tuning.

Multimodal semantic understanding often has to deal with uncertainty, which means the obtained messages tend to refer to multiple targets. Such uncertainty is problematic for our interpretation, including inter- and intra-modal uncertainty. Little effort has studied the modeling of this uncertainty, particularly in pre-training on unlabeled datasets and fine-tuning in task-specific downstream datasets. In this paper, we project the representations of all modalities as probabilistic distributions via a Probability Distribution Encoder (PDE) by utilizing sequence-level interactions. Compared to the existing deterministic methods, such uncertainty modeling can convey richer multimodal semantic information and more complex relationships. Furthermore, we integrate uncertainty modeling with popular pre-training frameworks and propose suitable pre-training tasks: Distribution-based Vision-Language Contrastive learning (D-VLC), Distribution-based Masked Language Modeling (D-MLM), and Distribution-based Image-Text Matching (D-ITM). The fine-tuned models are applied to challenging downstream tasks, including image-text retrieval, visual question answering, visual reasoning, and visual entailment, and achieve state-of-the-art results.

Deep learning in general domains has constantly been extended to domain-specific tasks requiring the recognition of fine-grained characteristics. However, real-world applications for fine-grained tasks suffer from two challenges: a high reliance on expert knowledge for annotation and necessity of a versatile model for various downstream tasks in a specific domain (e.g., prediction of categories, bounding boxes, or pixel-wise annotations). Fortunately, the recent self-supervised learning (SSL) is a promising approach to pretrain a model without annotations, serving as an effective initialization for any downstream tasks. Since SSL does not rely on the presence of annotation, in general, it utilizes the large-scale unlabeled dataset, referred to as an open-set. In this sense, we introduce a novel Open-Set Self-Supervised Learning problem under the assumption that a large-scale unlabeled open-set is available, as well as the fine-grained target dataset, during a pretraining phase. In our problem setup, it is crucial to consider the distribution mismatch between the open-set and target dataset. Hence, we propose SimCore algorithm to sample a coreset, the subset of an open-set that has a minimum distance to the target dataset in the latent space. We demonstrate that SimCore significantly improves representation learning performance through extensive experimental settings, including eleven fine-grained datasets and seven open-sets in various downstream tasks.

Offline goal-conditioned RL (GCRL) offers a way to train general-purpose agents from fully offline datasets. In addition to being conservative within the dataset, the generalization ability to achieve unseen goals is another fundamental challenge for offline GCRL. However, to the best of our knowledge, this problem has not been well studied yet. In this paper, we study out-of-distribution (OOD) generalization of offline GCRL both theoretically and empirically to identify factors that are important. In a number of experiments, we observe that weighted imitation learning enjoys better generalization than pessimism-based offline RL method. Based on this insight, we derive a theory for OOD generalization, which characterizes several important design choices. We then propose a new offline GCRL method, Generalizable Offline goAl-condiTioned RL (GOAT), by combining the findings from our theoretical and empirical studies. On a new benchmark containing 9 independent identically distributed (IID) tasks and 17 OOD tasks, GOAT outperforms current state-of-the-art methods by a large margin.

We study how the choice of visual perspective affects learning and generalization in the context of physical manipulation from raw sensor observations. Compared with the more commonly used global third-person perspective, a hand-centric (eye-in-hand) perspective affords reduced observability, but we find that it consistently improves training efficiency and out-of-distribution generalization. These benefits hold across a variety of learning algorithms, experimental settings, and distribution shifts, and for both simulated and real robot apparatuses. However, this is only the case when hand-centric observability is sufficient; otherwise, including a third-person perspective is necessary for learning, but also harms out-of-distribution generalization. To mitigate this, we propose to regularize the third-person information stream via a variational information bottleneck. On six representative manipulation tasks with varying hand-centric observability adapted from the Meta-World benchmark, this results in a state-of-the-art reinforcement learning agent operating from both perspectives improving its out-of-distribution generalization on every task. While some practitioners have long put cameras in the hands of robots, our work systematically analyzes the benefits of doing so and provides simple and broadly applicable insights for improving end-to-end learned vision-based robotic manipulation.

Neural networks are known to produce poor uncertainty estimations, and a variety of approaches have been proposed to remedy this issue. This includes deep ensemble, a simple and effective method that achieves state-of-the-art results for uncertainty-aware learning tasks. In this work, we explore a combinatorial generalization of deep ensemble called deep combinatorial aggregation (DCA). DCA creates multiple instances of network components and aggregates their combinations to produce diversified model proposals and predictions. DCA components can be defined at different levels of granularity. And we discovered that coarse-grain DCAs can outperform deep ensemble for uncertainty-aware learning both in terms of predictive performance and uncertainty estimation. For fine-grain DCAs, we discover that an average parameterization approach named deep combinatorial weight averaging (DCWA) can improve the baseline training. It is on par with stochastic weight averaging (SWA) but does not require any custom training schedule or adaptation of BatchNorm layers. Furthermore, we propose a consistency enforcing loss that helps the training of DCWA and modelwise DCA. We experiment on in-domain, distributional shift, and out-of-distribution image classification tasks, and empirically confirm the effectiveness of DCWA and DCA approaches.

Large language models (LLMs) have shown remarkable potential as autonomous agents, particularly in web-based tasks. However, existing LLM web agents heavily rely on expensive proprietary LLM APIs, while open LLMs lack the necessary decision-making capabilities. This paper introduces WebRL, a self-evolving online curriculum reinforcement learning framework designed to train high-performance web agents using open LLMs. WebRL addresses three key challenges in building LLM web agents, including the scarcity of training tasks, sparse feedback signals, and policy distribution drift in online learning. Specifically, WebRL incorporates 1) a self-evolving curriculum that generates new tasks from unsuccessful attempts, 2) a robust outcome-supervised reward model (ORM), and 3) adaptive reinforcement learning strategies to ensure consistent improvements. We apply WebRL to transform open Llama-3.1 and GLM-4 models into proficient web agents. On WebArena-Lite, WebRL improves the success rate of Llama-3.1-8B from 4.8% to 42.4%, and from 6.1% to 43% for GLM-4-9B. These open models significantly surpass the performance of GPT-4-Turbo (17.6%) and GPT-4o (13.9%) and outperform previous state-of-the-art web agents trained on open LLMs (AutoWebGLM, 18.2%). Our findings demonstrate WebRL's effectiveness in bridging the gap between open and proprietary LLM-based web agents, paving the way for more accessible and powerful autonomous web interaction systems.

Multimodal large language models have various practical applications that demand strong reasoning abilities. Despite recent advancements, these models still struggle to solve complex geometric problems. A key challenge stems from the lack of high-quality image-text pair datasets for understanding geometric images. Furthermore, most template-based data synthesis pipelines typically fail to generalize to questions beyond their predefined templates. In this paper, we bridge this gap by introducing a complementary process of Reinforcement Learning with Verifiable Rewards (RLVR) into the data generation pipeline. By adopting RLVR to refine captions for geometric images synthesized from 50 basic geometric relations and using reward signals derived from mathematical problem-solving tasks, our pipeline successfully captures the key features of geometry problem-solving. This enables better task generalization and yields non-trivial improvements. Furthermore, even in out-of-distribution scenarios, the generated dataset enhances the general reasoning capabilities of multimodal large language models, yielding accuracy improvements of 2.8%-4.8% in statistics, arithmetic, algebraic, and numerical tasks with non-geometric input images of MathVista and MathVerse, along with 2.4%-3.9% improvements in Art, Design, Tech, and Engineering tasks in MMMU.

We propose Hyper-Dimensional Function Encoding (HDFE). Given samples of a continuous object (e.g. a function), HDFE produces an explicit vector representation of the given object, invariant to the sample distribution and density. Sample distribution and density invariance enables HDFE to consistently encode continuous objects regardless of their sampling, and therefore allows neural networks to receive continuous objects as inputs for machine learning tasks, such as classification and regression. Besides, HDFE does not require any training and is proved to map the object into an organized embedding space, which facilitates the training of the downstream tasks. In addition, the encoding is decodable, which enables neural networks to regress continuous objects by regressing their encodings. Therefore, HDFE serves as an interface for processing continuous objects. We apply HDFE to function-to-function mapping, where vanilla HDFE achieves competitive performance as the state-of-the-art algorithm. We apply HDFE to point cloud surface normal estimation, where a simple replacement from PointNet to HDFE leads to immediate 12% and 15% error reductions in two benchmarks. In addition, by integrating HDFE into the PointNet-based SOTA network, we improve the SOTA baseline by 2.5% and 1.7% in the same benchmarks.

As the research of Multimodal Large Language Models (MLLMs) becomes popular, an advancing MLLM model is typically required to handle various textual and visual tasks (e.g., VQA, Detection, OCR, and ChartQA) simultaneously for real-world applications. However, due to the significant differences in representation and distribution among data from various tasks, simply mixing data of all tasks together leads to the well-known``multi-task conflict" issue, resulting in performance degradation across various tasks. To address this issue, we propose Awaker2.5-VL, a Mixture of Experts~(MoE) architecture suitable for MLLM, which acquires the multi-task capabilities through multiple sparsely activated experts. To speed up the training and inference of Awaker2.5-VL, each expert in our model is devised as a low-rank adaptation (LoRA) structure. Extensive experiments on multiple latest benchmarks demonstrate the effectiveness of Awaker2.5-VL. The code and model weight are released in our Project Page: https://github.com/MetabrainAGI/Awaker.

We present cmKAN, a versatile framework for color matching. Given an input image with colors from a source color distribution, our method effectively and accurately maps these colors to match a target color distribution in both supervised and unsupervised settings. Our framework leverages the spline capabilities of Kolmogorov-Arnold Networks (KANs) to model the color matching between source and target distributions. Specifically, we developed a hypernetwork that generates spatially varying weight maps to control the nonlinear splines of a KAN, enabling accurate color matching. As part of this work, we introduce a first large-scale dataset of paired images captured by two distinct cameras and evaluate the efficacy of our and existing methods in matching colors. We evaluated our approach across various color-matching tasks, including: (1) raw-to-raw mapping, where the source color distribution is in one camera's raw color space and the target in another camera's raw space; (2) raw-to-sRGB mapping, where the source color distribution is in a camera's raw space and the target is in the display sRGB space, emulating the color rendering of a camera ISP; and (3) sRGB-to-sRGB mapping, where the goal is to transfer colors from a source sRGB space (e.g., produced by a source camera ISP) to a target sRGB space (e.g., from a different camera ISP). The results show that our method outperforms existing approaches by 37.3% on average for supervised and unsupervised cases while remaining lightweight compared to other methods. The codes, dataset, and pre-trained models are available at: https://github.com/gosha20777/cmKAN

Large-scale code generation models such as Codex and CodeT5 have achieved impressive performance. However, libraries are upgraded or deprecated very frequently and re-training large-scale language models is computationally expensive. Therefore, Continual Learning (CL) is an important aspect that remains underexplored in the code domain. In this paper, we introduce a benchmark called CodeTask-CL that covers a wide range of tasks, including code generation, translation, summarization, and refinement, with different input and output programming languages. Next, on our CodeTask-CL benchmark, we compare popular CL techniques from NLP and Vision domains. We find that effective methods like Prompt Pooling (PP) suffer from catastrophic forgetting due to the unstable training of the prompt selection mechanism caused by stark distribution shifts in coding tasks. We address this issue with our proposed method, Prompt Pooling with Teacher Forcing (PP-TF), that stabilizes training by enforcing constraints on the prompt selection mechanism and leads to a 21.54% improvement over Prompt Pooling. Along with the benchmark, we establish a training pipeline that can be used for CL on code models, which we believe can motivate further development of CL methods for code models. Our code is available at https://github.com/amazon-science/codetaskcl-pptf

The transformer architecture and variants presented remarkable success across many machine learning tasks in recent years. This success is intrinsically related to the capability of handling long sequences and the presence of context-dependent weights from the attention mechanism. We argue that these capabilities suit the central role of a Meta-Reinforcement Learning algorithm. Indeed, a meta-RL agent needs to infer the task from a sequence of trajectories. Furthermore, it requires a fast adaptation strategy to adapt its policy for a new task -- which can be achieved using the self-attention mechanism. In this work, we present TrMRL (Transformers for Meta-Reinforcement Learning), a meta-RL agent that mimics the memory reinstatement mechanism using the transformer architecture. It associates the recent past of working memories to build an episodic memory recursively through the transformer layers. We show that the self-attention computes a consensus representation that minimizes the Bayes Risk at each layer and provides meaningful features to compute the best actions. We conducted experiments in high-dimensional continuous control environments for locomotion and dexterous manipulation. Results show that TrMRL presents comparable or superior asymptotic performance, sample efficiency, and out-of-distribution generalization compared to the baselines in these environments.

Large language models (LLMs) such as GPT-4 sometimes appear to be creative, solving novel tasks often with a few demonstrations in the prompt. These tasks require the models to generalize on distributions different from those from training data -- which is known as out-of-distribution (OOD) generalization. Despite the tremendous success of LLMs, how they approach OOD generalization remains an open and underexplored question. We examine OOD generalization in settings where instances are generated according to hidden rules, including in-context learning with symbolic reasoning. Models are required to infer the hidden rules behind input prompts without any fine-tuning. We empirically examined the training dynamics of Transformers on a synthetic example and conducted extensive experiments on a variety of pretrained LLMs, focusing on a type of components known as induction heads. We found that OOD generalization and composition are tied together -- models can learn rules by composing two self-attention layers, thereby achieving OOD generalization. Furthermore, a shared latent subspace in the embedding (or feature) space acts as a bridge for composition by aligning early layers and later layers, which we refer to as the common bridge representation hypothesis.

Detecting out-of-distribution (OOD) samples is crucial for ensuring the safety of machine learning systems and has shaped the field of OOD detection. Meanwhile, several other problems are closely related to OOD detection, including anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). To unify these problems, a generalized OOD detection framework was proposed, taxonomically categorizing these five problems. However, Vision Language Models (VLMs) such as CLIP have significantly changed the paradigm and blurred the boundaries between these fields, again confusing researchers. In this survey, we first present a generalized OOD detection v2, encapsulating the evolution of AD, ND, OSR, OOD detection, and OD in the VLM era. Our framework reveals that, with some field inactivity and integration, the demanding challenges have become OOD detection and AD. In addition, we also highlight the significant shift in the definition, problem settings, and benchmarks; we thus feature a comprehensive review of the methodology for OOD detection, including the discussion over other related tasks to clarify their relationship to OOD detection. Finally, we explore the advancements in the emerging Large Vision Language Model (LVLM) era, such as GPT-4V. We conclude this survey with open challenges and future directions.

Vision tasks are characterized by the properties of locality and translation invariance. The superior performance of convolutional neural networks (CNNs) on these tasks is widely attributed to the inductive bias of locality and weight sharing baked into their architecture. Existing attempts to quantify the statistical benefits of these biases in CNNs over locally connected convolutional neural networks (LCNs) and fully connected neural networks (FCNs) fall into one of the following categories: either they disregard the optimizer and only provide uniform convergence upper bounds with no separating lower bounds, or they consider simplistic tasks that do not truly mirror the locality and translation invariance as found in real-world vision tasks. To address these deficiencies, we introduce the Dynamic Signal Distribution (DSD) classification task that models an image as consisting of k patches, each of dimension d, and the label is determined by a d-sparse signal vector that can freely appear in any one of the k patches. On this task, for any orthogonally equivariant algorithm like gradient descent, we prove that CNNs require O(k+d) samples, whereas LCNs require Omega(kd) samples, establishing the statistical advantages of weight sharing in translation invariant tasks. Furthermore, LCNs need O(k(k+d)) samples, compared to Omega(k^2d) samples for FCNs, showcasing the benefits of locality in local tasks. Additionally, we develop information theoretic tools for analyzing randomized algorithms, which may be of interest for statistical research.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

Recently, Large Language Models (LLMs) with Mixture of Experts (MoE) layers have gained significant attention. Currently, state-of-the-art LLMs utilize this architecture. There is a substantial amount of research on how to train such models and how to select hyperparameters for this architecture. However, there is a lack of studies focusing on post-evaluation analysis of MoE layer properties. In this paper, we take a first step toward closing this gap by evaluating expert contributions on the quiz-based MMLU benchmark. We show that most experts were never activated during inference on this benchmark. Additionally, the output distribution of gating networks is much closer to uniform than sparse. Finally, we demonstrate that the average performance of some experts within the same layer varies significantly.

We present a new loss function for joint disparity and uncertainty estimation in deep stereo matching. Our work is motivated by the need for precise uncertainty estimates and the observation that multi-task learning often leads to improved performance in all tasks. We show that this can be achieved by requiring the distribution of uncertainty to match the distribution of disparity errors via a KL divergence term in the network's loss function. A differentiable soft-histogramming technique is used to approximate the distributions so that they can be used in the loss. We experimentally assess the effectiveness of our approach and observe significant improvements in both disparity and uncertainty prediction on large datasets.

Real-world medical image segmentation has tremendous long-tailed complexity of objects, among which tail conditions correlate with relatively rare diseases and are clinically significant. A trustworthy medical AI algorithm should demonstrate its effectiveness on tail conditions to avoid clinically dangerous damage in these out-of-distribution (OOD) cases. In this paper, we adopt the concept of object queries in Mask Transformers to formulate semantic segmentation as a soft cluster assignment. The queries fit the feature-level cluster centers of inliers during training. Therefore, when performing inference on a medical image in real-world scenarios, the similarity between pixels and the queries detects and localizes OOD regions. We term this OOD localization as MaxQuery. Furthermore, the foregrounds of real-world medical images, whether OOD objects or inliers, are lesions. The difference between them is less than that between the foreground and background, possibly misleading the object queries to focus redundantly on the background. Thus, we propose a query-distribution (QD) loss to enforce clear boundaries between segmentation targets and other regions at the query level, improving the inlier segmentation and OOD indication. Our proposed framework is tested on two real-world segmentation tasks, i.e., segmentation of pancreatic and liver tumors, outperforming previous state-of-the-art algorithms by an average of 7.39% on AUROC, 14.69% on AUPR, and 13.79% on FPR95 for OOD localization. On the other hand, our framework improves the performance of inlier segmentation by an average of 5.27% DSC when compared with the leading baseline nnUNet.

Pretrained language models have achieved state-of-the-art performance when adapted to a downstream NLP task. However, theoretical analysis of these models is scarce and challenging since the pretraining and downstream tasks can be very different. We propose an analysis framework that links the pretraining and downstream tasks with an underlying latent variable generative model of text -- the downstream classifier must recover a function of the posterior distribution over the latent variables. We analyze head tuning (learning a classifier on top of the frozen pretrained model) and prompt tuning in this setting. The generative model in our analysis is either a Hidden Markov Model (HMM) or an HMM augmented with a latent memory component, motivated by long-term dependencies in natural language. We show that 1) under certain non-degeneracy conditions on the HMM, simple classification heads can solve the downstream task, 2) prompt tuning obtains downstream guarantees with weaker non-degeneracy conditions, and 3) our recovery guarantees for the memory-augmented HMM are stronger than for the vanilla HMM because task-relevant information is easier to recover from the long-term memory. Experiments on synthetically generated data from HMMs back our theoretical findings.

Vision-Language Models (VLMs) such as CLIP are trained on large amounts of image-text pairs, resulting in remarkable generalization across several data distributions. The prohibitively expensive training and data collection/curation costs of these models make them valuable Intellectual Property (IP) for organizations. This motivates a vendor-client paradigm, where a vendor trains a large-scale VLM and grants only input-output access to clients on a pay-per-query basis in a black-box setting. The client aims to minimize inference cost by distilling the VLM to a student model using the limited available task-specific data, and further deploying this student model in the downstream application. While naive distillation largely improves the In-Domain (ID) accuracy of the student, it fails to transfer the superior out-of-distribution (OOD) generalization of the VLM teacher using the limited available labeled images. To mitigate this, we propose Vision-Language to Vision-Align, Distill, Predict (VL2V-ADiP), which first aligns the vision and language modalities of the teacher model with the vision modality of a pre-trained student model, and further distills the aligned VLM embeddings to the student. This maximally retains the pre-trained features of the student, while also incorporating the rich representations of the VLM image encoder and the superior generalization of the text embeddings. The proposed approach achieves state-of-the-art results on the standard Domain Generalization benchmarks in a black-box teacher setting, and also when weights of the VLM are accessible.