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Mar 14

MAgICoRe: Multi-Agent, Iterative, Coarse-to-Fine Refinement for Reasoning

Large Language Models' (LLM) reasoning can be improved using test-time aggregation strategies, i.e., generating multiple samples and voting among generated samples. While these improve performance, they often reach a saturation point. Refinement offers an alternative by using LLM-generated feedback to improve solution quality. However, refinement introduces 3 key challenges: (1) Excessive refinement: Uniformly refining all instances can over-correct and reduce the overall performance. (2) Inability to localize and address errors: LLMs have a limited ability to self-correct and struggle to identify and correct their own mistakes. (3) Insufficient refinement: Deciding how many iterations of refinement are needed is non-trivial, and stopping too soon could leave errors unaddressed. To tackle these issues, we propose MAgICoRe, which avoids excessive refinement by categorizing problem difficulty as easy or hard, solving easy problems with coarse-grained aggregation and hard ones with fine-grained and iterative multi-agent refinement. To improve error localization, we incorporate external step-wise reward model (RM) scores. Moreover, to ensure effective refinement, we employ a multi-agent loop with three agents: Solver, Reviewer (which generates targeted feedback based on step-wise RM scores), and the Refiner (which incorporates feedback). To ensure sufficient refinement, we re-evaluate updated solutions, iteratively initiating further rounds of refinement. We evaluate MAgICoRe on Llama-3-8B and GPT-3.5 and show its effectiveness across 5 math datasets. Even one iteration of MAgICoRe beats Self-Consistency by 3.4%, Best-of-k by 3.2%, and Self-Refine by 4.0% while using less than half the samples. Unlike iterative refinement with baselines, MAgICoRe continues to improve with more iterations. Finally, our ablations highlight the importance of MAgICoRe's RMs and multi-agent communication.

CraftsMan: High-fidelity Mesh Generation with 3D Native Generation and Interactive Geometry Refiner

We present a novel generative 3D modeling system, coined CraftsMan, which can generate high-fidelity 3D geometries with highly varied shapes, regular mesh topologies, and detailed surfaces, and, notably, allows for refining the geometry in an interactive manner. Despite the significant advancements in 3D generation, existing methods still struggle with lengthy optimization processes, irregular mesh topologies, noisy surfaces, and difficulties in accommodating user edits, consequently impeding their widespread adoption and implementation in 3D modeling software. Our work is inspired by the craftsman, who usually roughs out the holistic figure of the work first and elaborates the surface details subsequently. Specifically, we employ a 3D native diffusion model, which operates on latent space learned from latent set-based 3D representations, to generate coarse geometries with regular mesh topology in seconds. In particular, this process takes as input a text prompt or a reference image and leverages a powerful multi-view (MV) diffusion model to generate multiple views of the coarse geometry, which are fed into our MV-conditioned 3D diffusion model for generating the 3D geometry, significantly improving robustness and generalizability. Following that, a normal-based geometry refiner is used to significantly enhance the surface details. This refinement can be performed automatically, or interactively with user-supplied edits. Extensive experiments demonstrate that our method achieves high efficacy in producing superior-quality 3D assets compared to existing methods. HomePage: https://craftsman3d.github.io/, Code: https://github.com/wyysf-98/CraftsMan

GLoRe: When, Where, and How to Improve LLM Reasoning via Global and Local Refinements

State-of-the-art language models can exhibit impressive reasoning refinement capabilities on math, science or coding tasks. However, recent work demonstrates that even the best models struggle to identify when and where to refine without access to external feedback. Outcome-based Reward Models (ORMs), trained to predict correctness of the final answer indicating when to refine, offer one convenient solution for deciding when to refine. Process Based Reward Models (PRMs), trained to predict correctness of intermediate steps, can then be used to indicate where to refine. But they are expensive to train, requiring extensive human annotations. In this paper, we propose Stepwise ORMs (SORMs) which are trained, only on synthetic data, to approximate the expected future reward of the optimal policy or V^{star}. More specifically, SORMs are trained to predict the correctness of the final answer when sampling the current policy many times (rather than only once as in the case of ORMs). Our experiments show that SORMs can more accurately detect incorrect reasoning steps compared to ORMs, thus improving downstream accuracy when doing refinements. We then train global refinement models, which take only the question and a draft solution as input and predict a corrected solution, and local refinement models which also take as input a critique indicating the location of the first reasoning error. We generate training data for both models synthetically by reusing data used to train the SORM. We find combining global and local refinements, using the ORM as a reranker, significantly outperforms either one individually, as well as a best of three sample baseline. With this strategy we can improve the accuracy of a LLaMA-2 13B model (already fine-tuned with RL) on GSM8K from 53\% to 65\% when greedily sampled.

Spurious Feature Diversification Improves Out-of-distribution Generalization

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

MetaCoCo: A New Few-Shot Classification Benchmark with Spurious Correlation

Out-of-distribution (OOD) problems in few-shot classification (FSC) occur when novel classes sampled from testing distributions differ from base classes drawn from training distributions, which considerably degrades the performance of deep learning models deployed in real-world applications. Recent studies suggest that the OOD problems in FSC mainly including: (a) cross-domain few-shot classification (CD-FSC) and (b) spurious-correlation few-shot classification (SC-FSC). Specifically, CD-FSC occurs when a classifier learns transferring knowledge from base classes drawn from seen training distributions but recognizes novel classes sampled from unseen testing distributions. In contrast, SC-FSC arises when a classifier relies on non-causal features (or contexts) that happen to be correlated with the labels (or concepts) in base classes but such relationships no longer hold during the model deployment. Despite CD-FSC has been extensively studied, SC-FSC remains understudied due to lack of the corresponding evaluation benchmarks. To this end, we present Meta Concept Context (MetaCoCo), a benchmark with spurious-correlation shifts collected from real-world scenarios. Moreover, to quantify the extent of spurious-correlation shifts of the presented MetaCoCo, we further propose a metric by using CLIP as a pre-trained vision-language model. Extensive experiments on the proposed benchmark are performed to evaluate the state-of-the-art methods in FSC, cross-domain shifts, and self-supervised learning. The experimental results show that the performance of the existing methods degrades significantly in the presence of spurious-correlation shifts. We open-source all codes of our benchmark and hope that the proposed MetaCoCo can facilitate future research on spurious-correlation shifts problems in FSC. The code is available at: https://github.com/remiMZ/MetaCoCo-ICLR24.

Going Beyond Conventional OOD Detection

Out-of-distribution (OOD) detection is critical to ensure the safe deployment of deep learning models in critical applications. Deep learning models can often misidentify OOD samples as in-distribution (ID) samples. This vulnerability worsens in the presence of spurious correlation in the training set. Likewise, in fine-grained classification settings, detection of fine-grained OOD samples becomes inherently challenging due to their high similarity to ID samples. However, current research on OOD detection has largely ignored these challenging scenarios, focusing instead on relatively easier (conventional) cases. In this work, we present a unified Approach to Spurious, fine-grained, and Conventional OOD Detection (ASCOOD). First, we propose synthesizing virtual outliers from ID data by approximating the destruction of invariant features. To this end, we identify invariant features with the pixel attribution method using the model being learned. This approach eliminates the burden of curating external OOD datasets. Then, we simultaneously incentivize ID classification and predictive uncertainty towards virtual outliers leveraging standardized feature representation. Our approach effectively mitigates the impact of spurious correlations and encourages capturing fine-grained attributes. Extensive experiments across seven datasets demonstrate the merit of ASCOOD in spurious, fine-grained, and conventional settings. The code is available at: https://github.com/sudarshanregmi/ASCOOD/

Planning-Driven Programming: A Large Language Model Programming Workflow

The strong performance of large language models (LLMs) on natural language processing tasks raises extensive discussion on their application to code generation. Recent work suggests multiple sampling approaches to improve initial code generation accuracy or program repair approaches to refine the code. However, these methods suffer from LLMs' inefficiencies and limited reasoning capacity. In this work, we propose an LLM programming workflow (LPW) designed to improve both initial code generation and subsequent refinements within a structured two-phase workflow. Specifically, in the solution generation phase, the LLM first outlines a solution plan that decomposes the problem into manageable sub-problems and then verifies the generated solution plan through visible test cases. Subsequently, in the code implementation phase, the LLM initially drafts a code according to the solution plan and its verification. If the generated code fails the visible tests, the plan verification serves as the intended natural language solution to inform the refinement process for correcting bugs. We further introduce SLPW, a sampling variant of LPW, which initially generates multiple solution plans and plan verifications, produces a program for each plan and its verification, and refines each program as necessary until one successfully passes the visible tests. Compared to the state-of-the-art methods across various existing LLMs, our experimental results show that LPW significantly improves the Pass@1 accuracy by up to 16.4% on well-established text-to-code generation benchmarks, especially with a notable improvement of around 10% on challenging benchmarks. Additionally, SLPW demonstrates up to a 5.6% improvement over LPW and sets new state-of-the-art Pass@1 accuracy on various benchmarks, e.g., 98.2% on HumanEval, 84.8% on MBPP, 64.0% on APPS, and 35.3% on CodeContest, using GPT-4o as the backbone.

CYCLE: Learning to Self-Refine the Code Generation

Pre-trained code language models have achieved promising performance in code generation and improved the programming efficiency of human developers. However, their self-refinement capability is typically overlooked by the existing evaluations of code LMs, which focus only on the accuracy of the one-time prediction. For the cases when code LMs fail to implement the correct program, developers actually find it hard to debug and fix the faulty prediction since it is not written by the developers themselves. Unfortunately, our study reveals that code LMs cannot efficiently self-refine their faulty generations as well. In this paper, we propose CYCLE framework, learning to self-refine the faulty generation according to the available feedback, such as the execution results reported by the test suites. We evaluate CYCLE on three popular code generation benchmarks, HumanEval, MBPP, and APPS. The results reveal that CYCLE successfully maintains, sometimes improves, the quality of one-time code generation, while significantly improving the self-refinement capability of code LMs. We implement four variants of CYCLE with varied numbers of parameters across 350M, 1B, 2B, and 3B, and the experiments show that CYCLE consistently boosts the code generation performance, by up to 63.5%, across benchmarks and varied model sizes. We also notice that CYCLE outperforms code LMs that have 3times more parameters in self-refinement.

Mixture Outlier Exposure: Towards Out-of-Distribution Detection in Fine-grained Environments

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical subtask for these models is to detect Out-of-distribution (OOD) inputs. Given the nature of the deployment environment, one may expect such OOD inputs to also be fine-grained w.r.t. the known classes (e.g., a novel bird species), which are thus extremely difficult to identify. Unfortunately, OOD detection in fine-grained scenarios remains largely underexplored. In this work, we aim to fill this gap by first carefully constructing four large-scale fine-grained test environments, in which existing methods are shown to have difficulties. Particularly, we find that even explicitly incorporating a diverse set of auxiliary outlier data during training does not provide sufficient coverage over the broad region where fine-grained OOD samples locate. We then propose Mixture Outlier Exposure (MixOE), which mixes ID data and training outliers to expand the coverage of different OOD granularities, and trains the model such that the prediction confidence linearly decays as the input transitions from ID to OOD. Extensive experiments and analyses demonstrate the effectiveness of MixOE for building up OOD detector in fine-grained environments. The code is available at https://github.com/zjysteven/MixOE.

Meta OOD Learning for Continuously Adaptive OOD Detection

Out-of-distribution (OOD) detection is crucial to modern deep learning applications by identifying and alerting about the OOD samples that should not be tested or used for making predictions. Current OOD detection methods have made significant progress when in-distribution (ID) and OOD samples are drawn from static distributions. However, this can be unrealistic when applied to real-world systems which often undergo continuous variations and shifts in ID and OOD distributions over time. Therefore, for an effective application in real-world systems, the development of OOD detection methods that can adapt to these dynamic and evolving distributions is essential. In this paper, we propose a novel and more realistic setting called continuously adaptive out-of-distribution (CAOOD) detection which targets on developing an OOD detection model that enables dynamic and quick adaptation to a new arriving distribution, with insufficient ID samples during deployment time. To address CAOOD, we develop meta OOD learning (MOL) by designing a learning-to-adapt diagram such that a good initialized OOD detection model is learned during the training process. In the testing process, MOL ensures OOD detection performance over shifting distributions by quickly adapting to new distributions with a few adaptations. Extensive experiments on several OOD benchmarks endorse the effectiveness of our method in preserving both ID classification accuracy and OOD detection performance on continuously shifting distributions.

LEVI: Generalizable Fine-tuning via Layer-wise Ensemble of Different Views

Fine-tuning is becoming widely used for leveraging the power of pre-trained foundation models in new downstream tasks. While there are many successes of fine-tuning on various tasks, recent studies have observed challenges in the generalization of fine-tuned models to unseen distributions (i.e., out-of-distribution; OOD). To improve OOD generalization, some previous studies identify the limitations of fine-tuning data and regulate fine-tuning to preserve the general representation learned from pre-training data. However, potential limitations in the pre-training data and models are often ignored. In this paper, we contend that overly relying on the pre-trained representation may hinder fine-tuning from learning essential representations for downstream tasks and thus hurt its OOD generalization. It can be especially catastrophic when new tasks are from different (sub)domains compared to pre-training data. To address the issues in both pre-training and fine-tuning data, we propose a novel generalizable fine-tuning method LEVI (Layer-wise Ensemble of different VIews), where the pre-trained model is adaptively ensembled layer-wise with a small task-specific model, while preserving its efficiencies. By combining two complementing models, LEVI effectively suppresses problematic features in both the fine-tuning data and pre-trained model and preserves useful features for new tasks. Broad experiments with large language and vision models show that LEVI greatly improves fine-tuning generalization via emphasizing different views from fine-tuning data and pre-trained features.

PDE-Refiner: Achieving Accurate Long Rollouts with Neural PDE Solvers

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

TransRef: Multi-Scale Reference Embedding Transformer for Reference-Guided Image Inpainting

Image inpainting for completing complicated semantic environments and diverse hole patterns of corrupted images is challenging even for state-of-the-art learning-based inpainting methods trained on large-scale data. A reference image capturing the same scene of a corrupted image offers informative guidance for completing the corrupted image as it shares similar texture and structure priors to that of the holes of the corrupted image. In this work, we propose a transformer-based encoder-decoder network, named TransRef, for reference-guided image inpainting. Specifically, the guidance is conducted progressively through a reference embedding procedure, in which the referencing features are subsequently aligned and fused with the features of the corrupted image. For precise utilization of the reference features for guidance, a reference-patch alignment (Ref-PA) module is proposed to align the patch features of the reference and corrupted images and harmonize their style differences, while a reference-patch transformer (Ref-PT) module is proposed to refine the embedded reference feature. Moreover, to facilitate the research of reference-guided image restoration tasks, we construct a publicly accessible benchmark dataset containing 50K pairs of input and reference images. Both quantitative and qualitative evaluations demonstrate the efficacy of the reference information and the proposed method over the state-of-the-art methods in completing complex holes. Code and dataset can be accessed at https://github.com/Cameltr/TransRef.

Painting Outside as Inside: Edge Guided Image Outpainting via Bidirectional Rearrangement with Progressive Step Learning

Image outpainting is a very intriguing problem as the outside of a given image can be continuously filled by considering as the context of the image. This task has two main challenges. The first is to maintain the spatial consistency in contents of generated regions and the original input. The second is to generate a high-quality large image with a small amount of adjacent information. Conventional image outpainting methods generate inconsistent, blurry, and repeated pixels. To alleviate the difficulty of an outpainting problem, we propose a novel image outpainting method using bidirectional boundary region rearrangement. We rearrange the image to benefit from the image inpainting task by reflecting more directional information. The bidirectional boundary region rearrangement enables the generation of the missing region using bidirectional information similar to that of the image inpainting task, thereby generating the higher quality than the conventional methods using unidirectional information. Moreover, we use the edge map generator that considers images as original input with structural information and hallucinates the edges of unknown regions to generate the image. Our proposed method is compared with other state-of-the-art outpainting and inpainting methods both qualitatively and quantitatively. We further compared and evaluated them using BRISQUE, one of the No-Reference image quality assessment (IQA) metrics, to evaluate the naturalness of the output. The experimental results demonstrate that our method outperforms other methods and generates new images with 360{\deg}panoramic characteristics.

Understanding and Mitigating Distribution Shifts For Machine Learning Force Fields

Machine Learning Force Fields (MLFFs) are a promising alternative to expensive ab initio quantum mechanical molecular simulations. Given the diversity of chemical spaces that are of interest and the cost of generating new data, it is important to understand how MLFFs generalize beyond their training distributions. In order to characterize and better understand distribution shifts in MLFFs, we conduct diagnostic experiments on chemical datasets, revealing common shifts that pose significant challenges, even for large foundation models trained on extensive data. Based on these observations, we hypothesize that current supervised training methods inadequately regularize MLFFs, resulting in overfitting and learning poor representations of out-of-distribution systems. We then propose two new methods as initial steps for mitigating distribution shifts for MLFFs. Our methods focus on test-time refinement strategies that incur minimal computational cost and do not use expensive ab initio reference labels. The first strategy, based on spectral graph theory, modifies the edges of test graphs to align with graph structures seen during training. Our second strategy improves representations for out-of-distribution systems at test-time by taking gradient steps using an auxiliary objective, such as a cheap physical prior. Our test-time refinement strategies significantly reduce errors on out-of-distribution systems, suggesting that MLFFs are capable of and can move towards modeling diverse chemical spaces, but are not being effectively trained to do so. Our experiments establish clear benchmarks for evaluating the generalization capabilities of the next generation of MLFFs. Our code is available at https://tkreiman.github.io/projects/mlff_distribution_shifts/.

Neuron Patching: Semantic-based Neuron-level Language Model Repair for Code Generation

Language Models (LMs) have become widely used in software engineering, especially for tasks such as code generation, where they are referred to as code LMs. These models have proven effective in generating code, making it easier for developers to automate coding activities. However, research has highlighted a significant limitation: despite their effectiveness, LMs often produce code that is incorrect, buggy, or not fully functional. Updating these models with limited data can be prohibitively challenging, yet it is essential to maximize their utility. This may require hot-fix techniques (updating models with limited data) to resolve. In this paper, we propose Model Improvement via Neuron Targeting (MINT), a novel approach for repairing code LMs. MINT leverages the semantic property of language models to perform neuron-level repairs in a novel way. Further, by analyzing the relationships between the model's latent representations, the incorrect outputs, and the desired outputs, MINT determines which neurons are worth updating. This approach ensures that only the neurons crucial to the model's failure are targeted, avoiding unnecessary changes and allowing for a more efficient and precise repair process. MINT is effective, efficient, and reliable, capable of correcting a neural model by patching a minimum number of neurons (usually one or two neurons). Our approach is evaluated on three coding tasks: line-level code generation, shellcode generation, and intent-to-bash translation. The experimental results demonstrate that the proposed approach significantly outperforms the state-of-the-art in both effectiveness and efficiency measures. In addition, we analyze and discuss the side effects of model repair techniques, including the balance between generalization and specificity, and the performance after multiple repairs in succession.

Adaptive Advantage-Guided Policy Regularization for Offline Reinforcement Learning

In offline reinforcement learning, the challenge of out-of-distribution (OOD) is pronounced. To address this, existing methods often constrain the learned policy through policy regularization. However, these methods often suffer from the issue of unnecessary conservativeness, hampering policy improvement. This occurs due to the indiscriminate use of all actions from the behavior policy that generates the offline dataset as constraints. The problem becomes particularly noticeable when the quality of the dataset is suboptimal. Thus, we propose Adaptive Advantage-guided Policy Regularization (A2PR), obtaining high-advantage actions from an augmented behavior policy combined with VAE to guide the learned policy. A2PR can select high-advantage actions that differ from those present in the dataset, while still effectively maintaining conservatism from OOD actions. This is achieved by harnessing the VAE capacity to generate samples matching the distribution of the data points. We theoretically prove that the improvement of the behavior policy is guaranteed. Besides, it effectively mitigates value overestimation with a bounded performance gap. Empirically, we conduct a series of experiments on the D4RL benchmark, where A2PR demonstrates state-of-the-art performance. Furthermore, experimental results on additional suboptimal mixed datasets reveal that A2PR exhibits superior performance. Code is available at https://github.com/ltlhuuu/A2PR.