Daily Papers

General-purpose Large Language Models (LLMs) like GPT-4 have achieved remarkable advancements in machine translation (MT) by leveraging extensive web content. On the other hand, translation-specific LLMs are built by pre-training on domain-specific monolingual corpora and fine-tuning with human-annotated translation data. Despite the superior performance, these methods either demand an unprecedented scale of computing and data or substantial human editing and annotation efforts. In this paper, we develop MT-Ladder, a novel model-agnostic and cost-effective tool to refine the performance of general LLMs for MT. MT-Ladder is trained on pseudo-refinement triplets which can be easily obtained from existing LLMs without additional human cost. During training, we propose a hierarchical fine-tuning strategy with an easy-to-hard schema, improving MT-Ladder's refining performance progressively. The trained MT-Ladder can be seamlessly integrated with any general-purpose LLMs to boost their translation performance. By utilizing Gemma-2B/7B as the backbone, MT-Ladder-2B can elevate raw translations to the level of top-tier open-source models (e.g., refining BigTranslate-13B with +6.91 BLEU and +3.52 COMET for XX-En), and MT-Ladder-7B can further enhance model performance to be on par with the state-of-the-art GPT-4. Extensive ablation and analysis corroborate the effectiveness of MT-Ladder in diverse settings. Our code is available at https://github.com/fzp0424/Ladder

Previous works have explored various customized generation tasks given a reference image, but they still face limitations in generating consistent fine-grained details. In this paper, our aim is to solve the inconsistency problem of generated images by applying a reference-guided post-editing approach and present our ImageCritic. We first construct a dataset of reference-degraded-target triplets obtained via VLM-based selection and explicit degradation, which effectively simulates the common inaccuracies or inconsistencies observed in existing generation models. Furthermore, building on a thorough examination of the model's attention mechanisms and intrinsic representations, we accordingly devise an attention alignment loss and a detail encoder to precisely rectify inconsistencies. ImageCritic can be integrated into an agent framework to automatically detect inconsistencies and correct them with multi-round and local editing in complex scenarios. Extensive experiments demonstrate that ImageCritic can effectively resolve detail-related issues in various customized generation scenarios, providing significant improvements over existing methods.

Large Language Models (LLMs) present an intriguing avenue for exploration in the field of formal theorem proving. Nevertheless, their full potential, particularly concerning the mitigation of hallucinations and refinement through prover error messages, remains an area that has yet to be thoroughly investigated. To enhance the effectiveness of LLMs in the field, we introduce the Lyra, a new framework that employs two distinct correction mechanisms: Tool Correction (TC) and Conjecture Correction (CC). To implement Tool Correction in the post-processing of formal proofs, we leverage prior knowledge to utilize predefined prover tools (e.g., Sledgehammer) for guiding the replacement of incorrect tools. Tool Correction significantly contributes to mitigating hallucinations, thereby improving the overall accuracy of the proof. In addition, we introduce Conjecture Correction, an error feedback mechanism designed to interact with prover to refine formal proof conjectures with prover error messages. Compared to the previous refinement framework, the proposed Conjecture Correction refines generation with instruction but does not collect paired (generation, error & refinement) prompts. Our method has achieved state-of-the-art (SOTA) performance on both miniF2F validation (48.0% -> 55.3%) and test (45.5% -> 51.2%). We also present 3 IMO problems solved by Lyra. We believe Tool Correction (post-process for hallucination mitigation) and Conjecture Correction (subgoal adjustment from interaction with environment) could provide a promising avenue for future research in this field.

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.

We propose the first reference-based video super-resolution (RefVSR) approach that utilizes reference videos for high-fidelity results. We focus on RefVSR in a triple-camera setting, where we aim at super-resolving a low-resolution ultra-wide video utilizing wide-angle and telephoto videos. We introduce the first RefVSR network that recurrently aligns and propagates temporal reference features fused with features extracted from low-resolution frames. To facilitate the fusion and propagation of temporal reference features, we propose a propagative temporal fusion module. For learning and evaluation of our network, we present the first RefVSR dataset consisting of triplets of ultra-wide, wide-angle, and telephoto videos concurrently taken from triple cameras of a smartphone. We also propose a two-stage training strategy fully utilizing video triplets in the proposed dataset for real-world 4x video super-resolution. We extensively evaluate our method, and the result shows the state-of-the-art performance in 4x super-resolution.

Dense matching methods like DUSt3R regress pairwise pointmaps for 3D reconstruction. However, the reliance on pairwise prediction and the limited generalization capability inherently restrict the global geometric consistency. In this work, we introduce Test3R, a surprisingly simple test-time learning technique that significantly boosts geometric accuracy. Using image triplets (I_1,I_2,I_3), Test3R generates reconstructions from pairs (I_1,I_2) and (I_1,I_3). The core idea is to optimize the network at test time via a self-supervised objective: maximizing the geometric consistency between these two reconstructions relative to the common image I_1. This ensures the model produces cross-pair consistent outputs, regardless of the inputs. Extensive experiments demonstrate that our technique significantly outperforms previous state-of-the-art methods on the 3D reconstruction and multi-view depth estimation tasks. Moreover, it is universally applicable and nearly cost-free, making it easily applied to other models and implemented with minimal test-time training overhead and parameter footprint. Code is available at https://github.com/nopQAQ/Test3R.

This paper gives three formulas for the pseudoinverse of a matrix product A = CR. The first is sometimes correct, the second is always correct, and the third is almost never correct. But that third randomized pseudoinverse A^+_r may be very useful when A is a very large matrix. 1. A^+ = R^+C^+ when A = CR and C has independent columns and R has independent rows. 2. A^+ = (C^+CR)^+(CRR^+)^+ is always correct. 3. A^+_r = (P^TCR)^+P^TCRQ(CRQ)^+ = A^+ only when rank(P^TA) = rank(AQ) = rank(A) with A = CR.

Recent advances in generative modeling enable image editing assistants that follow natural language instructions without additional user input. Their supervised training requires millions of triplets: original image, instruction, edited image. Yet mining pixel-accurate examples is hard. Each edit must affect only prompt-specified regions, preserve stylistic coherence, respect physical plausibility, and retain visual appeal. The lack of robust automated edit-quality metrics hinders reliable automation at scale. We present an automated, modular pipeline that mines high-fidelity triplets across domains, resolutions, instruction complexities, and styles. Built on public generative models and running without human intervention, our system uses a task-tuned Gemini validator to score instruction adherence and aesthetics directly, removing any need for segmentation or grounding models. Inversion and compositional bootstrapping enlarge the mined set by approximately 2.2x, enabling large-scale high-fidelity training data. By automating the most repetitive annotation steps, the approach allows a new scale of training without human labeling effort. To democratize research in this resource-intensive area, we release NHR-Edit: an open dataset of 358k high-quality triplets. In the largest cross-dataset evaluation, it surpasses all public alternatives. We also release Bagel-NHR-Edit, an open-source fine-tuned Bagel model, which achieves state-of-the-art metrics in our experiments.

Despite recent advances in inversion and instruction-based image editing, existing approaches primarily excel at editing single, prominent objects but significantly struggle when applied to complex scenes containing multiple entities. To quantify this gap, we first introduce RefEdit-Bench, a rigorous real-world benchmark rooted in RefCOCO, where even baselines trained on millions of samples perform poorly. To overcome this limitation, we introduce RefEdit -- an instruction-based editing model trained on our scalable synthetic data generation pipeline. Our RefEdit, trained on only 20,000 editing triplets, outperforms the Flux/SD3 model-based baselines trained on millions of data. Extensive evaluations across various benchmarks demonstrate that our model not only excels in referring expression tasks but also enhances performance on traditional benchmarks, achieving state-of-the-art results comparable to closed-source methods. We release data \& checkpoint for reproducibility.

We give a simple, fully correct, and assumption-light replacement for the contested "domain-extension" in Step 9 of a recent windowed-QFT lattice algorithm with complex-Gaussian windows~chen2024quantum. The published Step~9 suffers from a periodicity/support mismatch. We present a pair-shift difference construction that coherently cancels all unknown offsets, produces an exact uniform CRT-coset state over Z_{P}, and then uses the QFT to enforce the intended modular linear relation. The unitary is reversible, uses poly(log M_2) gates, and preserves the algorithm's asymptotics. Project Page: https://github.com/yifanzhang-pro/quantum-lattice.

Iterative refinement has been a promising paradigm to enable large language models (LLMs) to resolve difficult reasoning and problem-solving tasks. One of the key challenges, however, is how to effectively search through the enormous search space of possible refinements. Existing methods typically fall back on predefined heuristics, which are troubled by the exploration-exploitation dilemma and cannot adapt based on past refinement outcomes. We introduce Tree-Guided Policy Refinement (TGPR), a novel framework that combines GRPO with a Thompson-Sampling-based tree search. TGPR explores both failed and successful refinement paths actively, with denser training trajectories and more adaptive policies. On HumanEval, MBPP, and APPS benchmarks, our method achieves up to +4.2 percentage points absolute improvement in pass@1 (on MBPP) and up to +12.51 percentage points absolute improvement in pass@10 (on APPS) compared to a competitive GRPO baseline. Apart from debugging code, TGPR focuses on a principled approach to combining learned policies with structured search methods, offering a general framework for enhancing iterative refinement and stateful reasoning in LLMs.

Recent advancements in 3D object reconstruction have been remarkable, yet most current 3D models rely heavily on existing 3D datasets. The scarcity of diverse 3D datasets results in limited generalization capabilities of 3D reconstruction models. In this paper, we propose a novel framework for boosting 3D reconstruction with multi-view refinement (MVBoost) by generating pseudo-GT data. The key of MVBoost is combining the advantages of the high accuracy of the multi-view generation model and the consistency of the 3D reconstruction model to create a reliable data source. Specifically, given a single-view input image, we employ a multi-view diffusion model to generate multiple views, followed by a large 3D reconstruction model to produce consistent 3D data. MVBoost then adaptively refines these multi-view images, rendered from the consistent 3D data, to build a large-scale multi-view dataset for training a feed-forward 3D reconstruction model. Additionally, the input view optimization is designed to optimize the corresponding viewpoints based on the user's input image, ensuring that the most important viewpoint is accurately tailored to the user's needs. Extensive evaluations demonstrate that our method achieves superior reconstruction results and robust generalization compared to prior works.

As a fundamental task in computational chemistry, retrosynthesis prediction aims to identify a set of reactants to synthesize a target molecule. Existing template-free approaches only consider the graph structures of the target molecule, which often cannot generalize well to rare reaction types and large molecules. Here, we propose T-Rex, a text-assisted retrosynthesis prediction approach that exploits pre-trained text language models, such as ChatGPT, to assist the generation of reactants. T-Rex first exploits ChatGPT to generate a description for the target molecule and rank candidate reaction centers based both the description and the molecular graph. It then re-ranks these candidates by querying the descriptions for each reactants and examines which group of reactants can best synthesize the target molecule. We observed that T-Rex substantially outperformed graph-based state-of-the-art approaches on two datasets, indicating the effectiveness of considering text information. We further found that T-Rex outperformed the variant that only use ChatGPT-based description without the re-ranking step, demonstrate how our framework outperformed a straightforward integration of ChatGPT and graph information. Collectively, we show that text generated by pre-trained language models can substantially improve retrosynthesis prediction, opening up new avenues for exploiting ChatGPT to advance computational chemistry. And the codes can be found at https://github.com/lauyikfung/T-Rex.

Weakly-Supervised Scene Graph Generation (WSSGG) research has recently emerged as an alternative to the fully-supervised approach that heavily relies on costly annotations. In this regard, studies on WSSGG have utilized image captions to obtain unlocalized triplets while primarily focusing on grounding the unlocalized triplets over image regions. However, they have overlooked the two issues involved in the triplet formation process from the captions: 1) Semantic over-simplification issue arises when extracting triplets from captions, where fine-grained predicates in captions are undesirably converted into coarse-grained predicates, resulting in a long-tailed predicate distribution, and 2) Low-density scene graph issue arises when aligning the triplets in the caption with entity/predicate classes of interest, where many triplets are discarded and not used in training, leading to insufficient supervision. To tackle the two issues, we propose a new approach, i.e., Large Language Model for weakly-supervised SGG (LLM4SGG), where we mitigate the two issues by leveraging the LLM's in-depth understanding of language and reasoning ability during the extraction of triplets from captions and alignment of entity/predicate classes with target data. To further engage the LLM in these processes, we adopt the idea of Chain-of-Thought and the in-context few-shot learning strategy. To validate the effectiveness of LLM4SGG, we conduct extensive experiments on Visual Genome and GQA datasets, showing significant improvements in both Recall@K and mean Recall@K compared to the state-of-the-art WSSGG methods. A further appeal is that LLM4SGG is data-efficient, enabling effective model training with a small amount of training images.

With their non-Abelian topological charges, real multi-bandgap systems challenge the conventional topological phase classifications. As the minimal sector of multi-bandgap systems, real triple degeneracies (RTPs), which serve as real 'Weyl points', lay the foundation for the research on real topological phases. However, experimental demonstration of physical systems with global band configurations consisting of multiple RTPs in crystals has not been reported. Here we present experimental evidence of RTPs in photonic meta-crystals, characterizing them using the Euler number, and establishing their connection with both Abelian and non-Abelian charges. By considering RTPs as the basic elements, we further propose the concept of a topological compound, akin to a chemical compound, where we find that certain phases are not topologically allowed. The topological classification of RTPs in crystals demonstrated in our work plays a similar role as the 'no-go' theorem in Weyl systems.

Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science. Various deep learning-based methods have been proposed for this task in recent years, incorporating diverse levels of additional chemical knowledge dependency. This paper introduces UAlign, a template-free graph-to-sequence pipeline for retrosynthesis prediction. By combining graph neural networks and Transformers, our method can more effectively leverage the inherent graph structure of molecules. Based on the fact that the majority of molecule structures remain unchanged during a chemical reaction, we propose a simple yet effective SMILES alignment technique to facilitate the reuse of unchanged structures for reactant generation. Extensive experiments show that our method substantially outperforms state-of-the-art template-free and semi-template-based approaches. Importantly, Our template-free method achieves effectiveness comparable to, or even surpasses, established powerful template-based methods. Scientific contribution: We present a novel graph-to-sequence template-free retrosynthesis prediction pipeline that overcomes the limitations of Transformer-based methods in molecular representation learning and insufficient utilization of chemical information. We propose an unsupervised learning mechanism for establishing product-atom correspondence with reactant SMILES tokens, achieving even better results than supervised SMILES alignment methods. Extensive experiments demonstrate that UAlign significantly outperforms state-of-the-art template-free methods and rivals or surpasses template-based approaches, with up to 5\% (top-5) and 5.4\% (top-10) increased accuracy over the strongest baseline.

Scene generation is crucial to many computer graphics applications. Recent advances in generative AI have streamlined sketch-to-image workflows, easing the workload for artists and designers in creating scene concept art. However, these methods often struggle for complex scenes with multiple detailed objects, sometimes missing small or uncommon instances. In this paper, we propose a Training-free Triplet Tuning for Sketch-to-Scene (T3-S2S) generation after reviewing the entire cross-attention mechanism. This scheme revitalizes the existing ControlNet model, enabling effective handling of multi-instance generations, involving prompt balance, characteristics prominence, and dense tuning. Specifically, this approach enhances keyword representation via the prompt balance module, reducing the risk of missing critical instances. It also includes a characteristics prominence module that highlights TopK indices in each channel, ensuring essential features are better represented based on token sketches. Additionally, it employs dense tuning to refine contour details in the attention map, compensating for instance-related regions. Experiments validate that our triplet tuning approach substantially improves the performance of existing sketch-to-image models. It consistently generates detailed, multi-instance 2D images, closely adhering to the input prompts and enhancing visual quality in complex multi-instance scenes. Code is available at https://github.com/chaos-sun/t3s2s.git.

Large language models (LLMs) have demonstrated the capacity to improve summary quality by mirroring a human-like iterative process of critique and refinement starting from the initial draft. Two strategies are designed to perform this iterative process: Prompt Chaining and Stepwise Prompt. Prompt chaining orchestrates the drafting, critiquing, and refining phases through a series of three discrete prompts, while Stepwise prompt integrates these phases within a single prompt. However, the relative effectiveness of the two methods has not been extensively studied. This paper is dedicated to examining and comparing these two methods in the context of text summarization to ascertain which method stands out as the most effective. Experimental results show that the prompt chaining method can produce a more favorable outcome. This might be because stepwise prompt might produce a simulated refinement process according to our various experiments. Since refinement is adaptable to diverse tasks, our conclusions have the potential to be extrapolated to other applications, thereby offering insights that may contribute to the broader development of LLMs.

Retrosynthetic planning aims to devise a complete multi-step synthetic route from starting materials to a target molecule. Current strategies use a decoupled approach of single-step retrosynthesis models and search algorithms, taking only the product as the input to predict the reactants for each planning step and ignoring valuable context information along the synthetic route. In this work, we propose a novel framework that utilizes context information for improved retrosynthetic planning. We view synthetic routes as reaction graphs and propose to incorporate context through three principled steps: encode molecules into embeddings, aggregate information over routes, and readout to predict reactants. Our approach is the first attempt to utilize in-context learning for retrosynthesis prediction in retrosynthetic planning. The entire framework can be efficiently optimized in an end-to-end fashion and produce more practical and accurate predictions. Comprehensive experiments demonstrate that by fusing in the context information over routes, our model significantly improves the performance of retrosynthetic planning over baselines that are not context-aware, especially for long synthetic routes. Code is available at https://github.com/SongtaoLiu0823/FusionRetro.

This paper proposes a novel self-supervised learning method for learning better representations with small batch sizes. Many self-supervised learning methods based on certain forms of the siamese network have emerged and received significant attention. However, these methods need to use large batch sizes to learn good representations and require heavy computational resources. We present a new triplet network combined with a triple-view loss to improve the performance of self-supervised representation learning with small batch sizes. Experimental results show that our method can drastically outperform state-of-the-art self-supervised learning methods on several datasets in small-batch cases. Our method provides a feasible solution for self-supervised learning with real-world high-resolution images that uses small batch sizes.

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond lengths and angles, are available, molecular property prediction tasks can be made more accurate. However, computing of 3D molecular geometries requires quantum calculations that are computationally prohibitive. For example, accurate calculation of 3D geometries of a small molecule requires hours of computing time using density functional theory (DFT). Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods. To make this feasible, we develop a benchmark, known as Molecule3D, that includes a dataset with precise ground-state geometries of approximately 4 million molecules derived from DFT. We also provide a set of software tools for data processing, splitting, training, and evaluation, etc. Specifically, we propose to assess the error and validity of predicted geometries using four metrics. We implement two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space. Experimental results show that, compared with generating 3D geometries with RDKit, our method can achieve comparable prediction accuracy but with much smaller computational costs. Our Molecule3D is available as a module of the MoleculeX software library (https://github.com/divelab/MoleculeX).

We study the joint image of lines incident to points, meaning the set of image tuples obtained from fixed cameras observing a varying 3D point-line incidence. We prove a formula for the number of complex critical points of the triangulation problem that aims to compute a 3D point-line incidence from noisy images. Our formula works for an arbitrary number of images and measures the intrinsic difficulty of this triangulation. Additionally, we conduct numerical experiments using homotopy continuation methods, comparing different approaches of triangulation of such incidences. In our setup, exploiting the incidence relations gives both a faster point reconstruction and in three views more accurate.

Self-Correction aims to enable large language models (LLMs) to self-verify and self-refine their initial responses without external feedback. However, LLMs often fail to effectively self-verify and generate correct feedback, further misleading refinement and leading to the failure of self-correction, especially in complex reasoning tasks. In this paper, we propose Program-driven Self-Correction (ProgCo). First, program-driven verification (ProgVe) achieves complex verification logic and extensive validation through self-generated, self-executing verification pseudo-programs. Then, program-driven refinement (ProgRe) receives feedback from ProgVe, conducts dual reflection and refinement on both responses and verification programs to mitigate misleading of incorrect feedback in complex reasoning tasks. Experiments on three instruction-following and mathematical benchmarks indicate that ProgCo achieves effective self-correction, and can be further enhance performance when combined with real program tools.

In 3D modeling, designers often use an existing 3D model as a reference to create new ones. This practice has inspired the development of Phidias, a novel generative model that uses diffusion for reference-augmented 3D generation. Given an image, our method leverages a retrieved or user-provided 3D reference model to guide the generation process, thereby enhancing the generation quality, generalization ability, and controllability. Our model integrates three key components: 1) meta-ControlNet that dynamically modulates the conditioning strength, 2) dynamic reference routing that mitigates misalignment between the input image and 3D reference, and 3) self-reference augmentations that enable self-supervised training with a progressive curriculum. Collectively, these designs result in a clear improvement over existing methods. Phidias establishes a unified framework for 3D generation using text, image, and 3D conditions with versatile applications.

In this paper, we present Gaussian Splatting based text-to-3D generation (GSGEN), a novel approach for generating high-quality 3D objects. Previous methods suffer from inaccurate geometry and limited fidelity due to the absence of 3D prior and proper representation. We leverage 3D Gaussian Splatting, a recent state-of-the-art representation, to address existing shortcomings by exploiting the explicit nature that enables the incorporation of 3D prior. Specifically, our method adopts a progressive optimization strategy, which includes a geometry optimization stage and an appearance refinement stage. In geometry optimization, a coarse representation is established under a 3D geometry prior along with the ordinary 2D SDS loss, ensuring a sensible and 3D-consistent rough shape. Subsequently, the obtained Gaussians undergo an iterative refinement to enrich details. In this stage, we increase the number of Gaussians by compactness-based densification to enhance continuity and improve fidelity. With these designs, our approach can generate 3D content with delicate details and more accurate geometry. Extensive evaluations demonstrate the effectiveness of our method, especially for capturing high-frequency components. Video results are provided at https://gsgen3d.github.io. Our code is available at https://github.com/gsgen3d/gsgen

In this note we establish a 1-to-1 correspondence between the class of generalized quadrangles with ovoids and the class of balanced incomplete block designs that posses a non-triangular local resolution system and have the appropriate parameters. We present a non-triangular local resolution system for a difference family BIBD construction of Sprott.

Scene graph generation (SGG) models have suffered from inherent problems regarding the benchmark datasets such as the long-tailed predicate distribution and missing annotation problems. In this work, we aim to alleviate the long-tailed problem of SGG by utilizing unannotated triplets. To this end, we introduce a Self-Training framework for SGG (ST-SGG) that assigns pseudo-labels for unannotated triplets based on which the SGG models are trained. While there has been significant progress in self-training for image recognition, designing a self-training framework for the SGG task is more challenging due to its inherent nature such as the semantic ambiguity and the long-tailed distribution of predicate classes. Hence, we propose a novel pseudo-labeling technique for SGG, called Class-specific Adaptive Thresholding with Momentum (CATM), which is a model-agnostic framework that can be applied to any existing SGG models. Furthermore, we devise a graph structure learner (GSL) that is beneficial when adopting our proposed self-training framework to the state-of-the-art message-passing neural network (MPNN)-based SGG models. Our extensive experiments verify the effectiveness of ST-SGG on various SGG models, particularly in enhancing the performance on fine-grained predicate classes.

Reasoning training incentivizes LLMs to produce long chains of thought (long CoT), which among other things, allows them to explore solution strategies with self-checking. This results in higher accuracy, but inflates context length, token/compute cost, and answer latency. We ask: Can current models leverage their metacognition to provide other combinations on this Pareto frontier, e.g., better accuracy with lower context length and/or latency? Abstractly, we view the model as an improvement operator on its own "thoughts" with a continuum of possible strategies. We identify an interesting inference family Parallel-Distill-Refine (PDR), which performs the following: (i) generate diverse drafts in parallel; (ii) distill them into a bounded, textual workspace; and (iii) refine conditioned on this workspace, producing an output that seeds the next round. Importantly, context length (hence compute cost) is controllable via degree of parallelism, and is no longer conflated with the total number of generated tokens. We report PDR instantiations of current models that give better accuracy than long CoT while incurring lower latency. Setting degree of parallelism to 1 yields an interesting subcase, Sequential Refinement (SR) (iteratively improve a single candidate answer) which provides performance superior to long CoT. Success of such model orchestrations raises the question whether further training could shift the Pareto frontier. To this end, we train an 8B thinking model with Reinforcement Learning (RL) to make it consistent with PDR as the inference method. On math tasks with verifiable answers, iterative pipelines surpass single-pass baselines at matched sequential budgets, with PDR delivering the largest gains (e.g., +11% on AIME 2024 and +9% on AIME 2025).

Given a K-vertex simplex in a d-dimensional space, suppose we measure n points on the simplex with noise (hence, some of the observed points fall outside the simplex). Vertex hunting is the problem of estimating the K vertices of the simplex. A popular vertex hunting algorithm is successive projection algorithm (SPA). However, SPA is observed to perform unsatisfactorily under strong noise or outliers. We propose pseudo-point SPA (pp-SPA). It uses a projection step and a denoise step to generate pseudo-points and feed them into SPA for vertex hunting. We derive error bounds for pp-SPA, leveraging on extreme value theory of (possibly) high-dimensional random vectors. The results suggest that pp-SPA has faster rates and better numerical performances than SPA. Our analysis includes an improved non-asymptotic bound for the original SPA, which is of independent interest.

We present PreF3R, Pose-Free Feed-forward 3D Reconstruction from an image sequence of variable length. Unlike previous approaches, PreF3R removes the need for camera calibration and reconstructs the 3D Gaussian field within a canonical coordinate frame directly from a sequence of unposed images, enabling efficient novel-view rendering. We leverage DUSt3R's ability for pair-wise 3D structure reconstruction, and extend it to sequential multi-view input via a spatial memory network, eliminating the need for optimization-based global alignment. Additionally, PreF3R incorporates a dense Gaussian parameter prediction head, which enables subsequent novel-view synthesis with differentiable rasterization. This allows supervising our model with the combination of photometric loss and pointmap regression loss, enhancing both photorealism and structural accuracy. Given a sequence of ordered images, PreF3R incrementally reconstructs the 3D Gaussian field at 20 FPS, therefore enabling real-time novel-view rendering. Empirical experiments demonstrate that PreF3R is an effective solution for the challenging task of pose-free feed-forward novel-view synthesis, while also exhibiting robust generalization to unseen scenes.

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that LM-Design improves the state-of-the-art results by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65%/56.63% on CATH 4.2/4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)

We introduce meta-factorization, a theory that describes matrix decompositions as solutions of linear matrix equations: the projector and the reconstruction equation. Meta-factorization reconstructs known factorizations, reveals their internal structures, and allows for introducing modifications, as illustrated with SVD, QR, and UTV factorizations. The prospect of meta-factorization also provides insights into computational aspects of generalized matrix inverses and randomized linear algebra algorithms. The relations between the Moore-Penrose pseudoinverse, generalized Nystr\"{o}m method, and the CUR decomposition are revealed here as an illustration. Finally, meta-factorization offers hints on the structure of new factorizations and provides the potential of creating them.

The cascade of 2D geometric transformations were exploited to model relations between entities in a knowledge graph (KG), leading to an effective KG embedding (KGE) model, CompoundE. Furthermore, the rotation in the 3D space was proposed as a new KGE model, Rotate3D, by leveraging its non-commutative property. Inspired by CompoundE and Rotate3D, we leverage 3D compound geometric transformations, including translation, rotation, scaling, reflection, and shear and propose a family of KGE models, named CompoundE3D, in this work. CompoundE3D allows multiple design variants to match rich underlying characteristics of a KG. Since each variant has its own advantages on a subset of relations, an ensemble of multiple variants can yield superior performance. The effectiveness and flexibility of CompoundE3D are experimentally verified on four popular link prediction datasets.

In the 3-3-1 model with right-handed neutrinos, three triplets of scalars engender the correct sequence of symmetry breaking, SU(3)_C times SU(3)_L times U(1)_X rightarrow SU(3)_C times SU(2)_L times U(1)_Y rightarrow SU(3)_C times U(1)_{EM}, generating mass for all fermions, except neutrinos. Tiny neutrino masses may be achieved by adding one sextet of scalars to the original scalar content. As consequence, it emerges a very complex scalar sector, involving terms that violate lepton number explicitly, too. The main obstacle to the development of the phenomenology of such scenario is the knowledge of its spectrum of scalars since, now, there are 15 massive scalar particles on it. The proposal of this work is to do an exhaustive analysis of such scalar sector with lepton number being explicitly violated at low, electroweak and high energy scales by means of trilinear terms in the potential. The first case can be addressed analytically and, as a nice result, we have observed that the scalar content of such case is split into two categories: One belonging to the 331 energy scale and the other belonging to the EWSB energy scale, with the last recovering the well known THDM+triplet. For the other cases, the scalar sector can be addressed only numerically. Hence, we proposed a very general approach for the numerical study of the potential, avoiding simplifications that can make us reach conclusions without foundation. We show that, in the case of lepton number being explicitly violated at electroweak scale, it is possible to recover the same physics of the THDM+triplet, as the previous case. Among all the possibilities, we call the attention to one special case which generates the 3HDM+triplet scenario. For the last case, when lepton number is violated at high energy scale, the sextet become very massive and decouples from the original scalar content of the 3-3-1 model.

Code generation has attracted increasing attention with the rise of Large Language Models (LLMs). Many studies have developed powerful code LLMs by synthesizing code-related instruction data and applying supervised fine-tuning. However, these methods are limited by teacher model distillation and ignore the potential of iterative refinement by self-generated code. In this paper, we propose Adaptive Critique Refinement (ACR), which enables the model to refine itself by self-generated code and external critique, rather than directly imitating the code responses of the teacher model. Concretely, ACR includes a composite scoring system with LLM-as-a-Judge to evaluate the quality of code responses and a selective critique strategy with LLM-as-a-Critic to critique self-generated low-quality code responses. We develop the RefineCoder series by iteratively applying ACR, achieving continuous performance improvement on multiple code generation benchmarks. Compared to the baselines of the same size, our proposed RefineCoder series can achieve comparable or even superior performance using less data.

In recent years, Large Language Models (LLMs) have demonstrated remarkable generative abilities, but can they judge the quality of their own generations? A popular concept, referred to as self-refinement, postulates that LLMs can detect and correct the errors in their generations when asked to do so. However, recent empirical evidence points in the opposite direction, suggesting that LLMs often struggle to accurately identify errors when reasoning is involved. To address this, we propose a reasoning with refinement objective called ART: Ask, Refine, and Trust, which asks necessary questions to decide when an LLM should refine its output, and either affirm or withhold trust in its refinement by ranking the refinement and the initial prediction. On two multistep reasoning tasks of mathematical word problems (GSM8K) and question answering (StrategyQA), ART achieves a performance gain of +5 points over self-refinement baselines, while using a much smaller model as the decision maker. We also demonstrate the benefit of using smaller models to make refinement decisions as a cost-effective alternative to fine-tuning a larger model.

Test-Time Scaling (TTS) is a promising approach to progressively elicit the model's intelligence during inference. Recently, training-based TTS methods, such as continued reinforcement learning (RL), have further surged in popularity, while training-free TTS methods are gradually fading from prominence. However, the additional computation overhead of training amplifies the burden on test-time scaling. In this paper, we focus on training-free TTS methods for reasoning. We first design Conditional Step-level Self-refinement, a fine-grained sequential scaling method guided by process verification. On top of its effectiveness, we further combine it with other classical parallel scaling methods at the step level, to introduce a novel inference paradigm called Hybrid Test-Time Scaling. Extensive experiments on five instruction-tuned LLMs across different scales (3B-14B) and families demonstrate that hybrid strategy incorporating various training-free TTS methods at a fine granularity has considerable potential for expanding the reasoning performance boundaries of LLMs.

Despite the tremendous progress in neural radiance fields (NeRF), we still face a dilemma of the trade-off between quality and efficiency, e.g., MipNeRF presents fine-detailed and anti-aliased renderings but takes days for training, while Instant-ngp can accomplish the reconstruction in a few minutes but suffers from blurring or aliasing when rendering at various distances or resolutions due to ignoring the sampling area. To this end, we propose a novel Tri-Mip encoding that enables both instant reconstruction and anti-aliased high-fidelity rendering for neural radiance fields. The key is to factorize the pre-filtered 3D feature spaces in three orthogonal mipmaps. In this way, we can efficiently perform 3D area sampling by taking advantage of 2D pre-filtered feature maps, which significantly elevates the rendering quality without sacrificing efficiency. To cope with the novel Tri-Mip representation, we propose a cone-casting rendering technique to efficiently sample anti-aliased 3D features with the Tri-Mip encoding considering both pixel imaging and observing distance. Extensive experiments on both synthetic and real-world datasets demonstrate our method achieves state-of-the-art rendering quality and reconstruction speed while maintaining a compact representation that reduces 25% model size compared against Instant-ngp.

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/.

The foundational capabilities of large language models (LLMs) are deeply influenced by the quality of their pre-training corpora. However, enhancing data quality at scale remains a significant challenge, primarily due to the trade-off between refinement effectiveness and processing efficiency. While rule-based filtering remains the dominant paradigm, it typically operates at the document level and lacks the granularity needed to refine specific content within documents. Inspired by emerging work such as ProX, we propose RefineX, a novel framework for large-scale, surgical refinement of pre-training data through programmatic editing tasks. RefineX enables efficient and fine-grained data refinement while reliably preserving the diversity and naturalness of raw text. The core strength of RefineX lies in distilling high-quality, expert-guided end-to-end refinement results into minimal edit-based deletion programs. This high-precision distillation pipeline is used to train an efficient and reliable refine model that can systematically improve every instance in the corpus at scale. We evaluate RefineX across from-scratch pre-training at multiple model scales and find that it consistently outperforms models trained on raw, filtered, or alternatively refined data across diverse downstream tasks. On the 750M model, RefineX yields 2.6%-7.2% average gains on lighteval tasks, and achieves comparable performance using significantly fewer training tokens. Further analysis shows that RefineX reliably enhances text quality with both high efficiency and precision, outperforming prior approaches such as end-to-end generation and Prox-C. These results position RefineX as a scalable, effective, and reliable solution for optimizing pre-training data in modern LLM pipelines.

We extend Textual Inversion to learn pseudo-words that represent a concept at different resolutions. This allows us to generate images that use the concept with different levels of detail and also to manipulate different resolutions using language. Once learned, the user can generate images at different levels of agreement to the original concept; "A photo of S^*(0)" produces the exact object while the prompt "A photo of S^*(0.8)" only matches the rough outlines and colors. Our framework allows us to generate images that use different resolutions of an image (e.g. details, textures, styles) as separate pseudo-words that can be composed in various ways. We open-soure our code in the following URL: https://github.com/giannisdaras/multires_textual_inversion

Text-guided 3D editing aims to precisely edit semantically relevant local 3D regions, which has significant potential for various practical applications ranging from 3D games to film production. Existing methods typically follow a view-indiscriminate paradigm: editing 2D views indiscriminately and projecting them back into 3D space. However, they overlook the different cross-view interdependencies, resulting in inconsistent multi-view editing. In this study, we argue that ideal consistent 3D editing can be achieved through a progressive-views paradigm, which propagates editing semantics from the editing-salient view to other editing-sparse views. Specifically, we propose Pro3D-Editor, a novel framework, which mainly includes Primary-view Sampler, Key-view Render, and Full-view Refiner. Primary-view Sampler dynamically samples and edits the most editing-salient view as the primary view. Key-view Render accurately propagates editing semantics from the primary view to other key views through its Mixture-of-View-Experts Low-Rank Adaption (MoVE-LoRA). Full-view Refiner edits and refines the 3D object based on the edited multi-views. Extensive experiments demonstrate that our method outperforms existing methods in editing accuracy and spatial consistency.

Text-to-3D generation represents an exciting field that has seen rapid advancements, facilitating the transformation of textual descriptions into detailed 3D models. However, current progress often neglects the intricate high-order correlation of geometry and texture within 3D objects, leading to challenges such as over-smoothness, over-saturation and the Janus problem. In this work, we propose a method named ``3D Gaussian Generation via Hypergraph (Hyper-3DG)'', designed to capture the sophisticated high-order correlations present within 3D objects. Our framework is anchored by a well-established mainflow and an essential module, named ``Geometry and Texture Hypergraph Refiner (HGRefiner)''. This module not only refines the representation of 3D Gaussians but also accelerates the update process of these 3D Gaussians by conducting the Patch-3DGS Hypergraph Learning on both explicit attributes and latent visual features. Our framework allows for the production of finely generated 3D objects within a cohesive optimization, effectively circumventing degradation. Extensive experimentation has shown that our proposed method significantly enhances the quality of 3D generation while incurring no additional computational overhead for the underlying framework. (Project code: https://github.com/yjhboy/Hyper3DG)

Scene Graph Generation (SGG) aims to detect all the visual relation triplets <sub, pred, obj> in a given image. With the emergence of various advanced techniques for better utilizing both the intrinsic and extrinsic information in each relation triplet, SGG has achieved great progress over the recent years. However, due to the ubiquitous long-tailed predicate distributions, today's SGG models are still easily biased to the head predicates. Currently, the most prevalent debiasing solutions for SGG are re-balancing methods, e.g., changing the distributions of original training samples. In this paper, we argue that all existing re-balancing strategies fail to increase the diversity of the relation triplet features of each predicate, which is critical for robust SGG. To this end, we propose a novel Compositional Feature Augmentation (CFA) strategy, which is the first unbiased SGG work to mitigate the bias issue from the perspective of increasing the diversity of triplet features. Specifically, we first decompose each relation triplet feature into two components: intrinsic feature and extrinsic feature, which correspond to the intrinsic characteristics and extrinsic contexts of a relation triplet, respectively. Then, we design two different feature augmentation modules to enrich the feature diversity of original relation triplets by replacing or mixing up either their intrinsic or extrinsic features from other samples. Due to its model-agnostic nature, CFA can be seamlessly incorporated into various SGG frameworks. Extensive ablations have shown that CFA achieves a new state-of-the-art performance on the trade-off between different metrics.

Matrix multiplication optimization remains a fundamental challenge in computational mathematics. This work introduces a novel approach that discovers matrix multiplication schemes in the ternary field (Z_T), where coefficients are restricted to {-1, 0, 1} to minimize naive additive complexity. The core of the method is a GPU-accelerated meta flip graph algorithm that maintains ternary safety through specialized arithmetic operations and sign symmetry breaking. Key results include new best ranks for the formats 4 times 5 times 12, 5 times 6 times 10, and 6 times 7 times 9, the independent discovery of 32 schemes in Z_T that match known optimal ranks (including 8 previously known only with rational coefficients), and 30 rank improvements in the binary field. The analysis of 164 known schemes shows that 92 can be implemented in Z_T, while 72 could not be found in the ternary field with current methods, defining the current boundaries of this approach. All software, results, and discovered schemes are provided as open-source.

Can language models (LMs) self-refine their own responses? This question is increasingly relevant as a wide range of real-world user interactions involve refinement requests. However, prior studies have largely tested LMs' refinement abilities on verifiable tasks such as competition math or symbolic reasoning with simplified scaffolds, whereas users often pose open-ended queries and provide varying degrees of feedback on what they desire. The recent advent of reasoning models that exhibit self-reflection patterns in their chains-of-thought further motivates this question. To analyze this, we introduce RefineBench, a benchmark of 1,000 challenging problems across 11 domains paired with a checklist-based evaluation framework. We evaluate two refinement modes: (1) guided refinement, where an LM is provided natural language feedback, and (2) self-refinement, where LMs attempt to improve without guidance. In the self-refinement setting, even frontier LMs such as Gemini 2.5 Pro and GPT-5 achieve modest baseline scores of 31.3% and 29.1%, respectively, and most models fail to consistently improve across iterations (e.g., Gemini-2.5-Pro gains only +1.8%, while DeepSeek-R1 declines by -0.1%). By contrast, in guided refinement, both proprietary LMs and large open-weight LMs (>70B) can leverage targeted feedback to refine responses to near-perfect levels within five turns. These findings suggest that frontier LMs require breakthroughs to self-refine their incorrect responses, and that RefineBench provides a valuable testbed for tracking progress.

Text-driven 3D scene generation techniques have made rapid progress in recent years. Their success is mainly attributed to using existing generative models to iteratively perform image warping and inpainting to generate 3D scenes. However, these methods heavily rely on the outputs of existing models, leading to error accumulation in geometry and appearance that prevent the models from being used in various scenarios (e.g., outdoor and unreal scenarios). To address this limitation, we generatively refine the newly generated local views by querying and aggregating global 3D information, and then progressively generate the 3D scene. Specifically, we employ a tri-plane features-based NeRF as a unified representation of the 3D scene to constrain global 3D consistency, and propose a generative refinement network to synthesize new contents with higher quality by exploiting the natural image prior from 2D diffusion model as well as the global 3D information of the current scene. Our extensive experiments demonstrate that, in comparison to previous methods, our approach supports wide variety of scene generation and arbitrary camera trajectories with improved visual quality and 3D consistency.

Although recent 3D-native generators have made great progress in synthesizing reliable geometry, they still fall short in achieving realistic appearances. A key obstacle lies in the lack of diverse and high-quality real-world 3D assets with rich texture details, since capturing such data is intrinsically difficult due to the diverse scales of scenes, non-rigid motions of objects, and the limited precision of 3D scanners. We introduce Photo3D, a framework for advancing photorealistic 3D generation, which is driven by the image data generated by the GPT-4o-Image model. Considering that the generated images can distort 3D structures due to their lack of multi-view consistency, we design a structure-aligned multi-view synthesis pipeline and construct a detail-enhanced multi-view dataset paired with 3D geometry. Building on it, we present a realistic detail enhancement scheme that leverages perceptual feature adaptation and semantic structure matching to enforce appearance consistency with realistic details while preserving the structural consistency with the 3D-native geometry. Our scheme is general to different 3D-native generators, and we present dedicated training strategies to facilitate the optimization of geometry-texture coupled and decoupled 3D-native generation paradigms. Experiments demonstrate that Photo3D generalizes well across diverse 3D-native generation paradigms and achieves state-of-the-art photorealistic 3D generation performance.

Networks of atom-centered coordination octahedra commonly occur in inorganic and hybrid solid-state materials. Characterizing their spatial arrangements and characteristics is crucial for relating structures to properties for many materials families. The traditional method using case-by-case inspection becomes prohibitive for discovering trends and similarities in large datasets. Here, we operationalize chemical intuition to automate the geometric parsing, quantification, and classification of coordination octahedral networks. We find axis-resolved tilting trends in ABO_{3} perovskite polymorphs, which assist in detecting oxidation state changes. Moreover, we develop a scale-invariant encoding scheme to represent these networks, which, combined with human-assisted unsupervised machine learning, allows us to taxonomize the inorganic framework polytypes in hybrid iodoplumbates (A_xPb_yI_z). Consequently, we uncover a violation of Pauling's third rule and the design principles underpinning their topological diversity. Our results offer a glimpse into the vast design space of atomic octahedral networks and inform high-throughput, targeted screening of specific structure types.

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

Large language models (LLMs) have recently shown strong progress on scientific reasoning, yet two major bottlenecks remain. First, explicit retrieval fragments reasoning, imposing a hidden "tool tax" of extra tokens and steps. Second, multi-agent pipelines often dilute strong solutions by averaging across all candidates. We address these challenges with a unified framework that combines implicit retrieval and structured collaboration. At its foundation, a Monitor-based retrieval module operates at the token level, integrating external knowledge with minimal disruption to reasoning. On top of this substrate, Hierarchical Solution Refinement (HSR) iteratively designates each candidate as an anchor to be repaired by its peers, while Quality-Aware Iterative Reasoning (QAIR) adapts refinement to solution quality. On Humanity's Last Exam (HLE) Bio/Chem Gold, our framework achieves 48.3\% accuracy -- the highest reported to date, surpassing the strongest agent baseline by 13.4 points and leading frontier LLMs by up to 18.1 points, while simultaneously reducing token usage by 53.5\% and agent steps by 43.7\%. Results on SuperGPQA and TRQA confirm robustness across domains. Error analysis shows that reasoning failures and knowledge gaps co-occur in over 85\% of cases, while diversity analysis reveals a clear dichotomy: retrieval tasks benefit from solution variety, whereas reasoning tasks favor consensus. Together, these findings demonstrate how implicit augmentation and structured refinement overcome the inefficiencies of explicit tool use and uniform aggregation. Code is available at: https://github.com/tangxiangru/Eigen-1.

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

Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological completion over chemical validity. We introduce RetroCast, a unified evaluation suite that standardizes heterogeneous model outputs into a common schema to enable statistically rigorous, apples-to-apples comparison. The framework includes a reproducible benchmarking pipeline with stratified sampling and bootstrapped confidence intervals, accompanied by SynthArena, an interactive platform for qualitative route inspection. We utilize this infrastructure to evaluate leading search-based and sequence-based algorithms on a new suite of standardized benchmarks. Our analysis reveals a divergence between "solvability" (stock-termination rate) and route quality; high solvability scores often mask chemical invalidity or fail to correlate with the reproduction of experimental ground truths. Furthermore, we identify a "complexity cliff" in which search-based methods, despite high solvability rates, exhibit a sharp performance decay in reconstructing long-range synthetic plans compared to sequence-based approaches. We release the full framework, benchmark definitions, and a standardized database of model predictions to support transparent and reproducible development in the field.

Object appearances change dramatically with pose variations. This creates a challenge for embedding schemes that seek to map instances with the same object ID to locations that are as close as possible. This issue becomes significantly heightened in complex computer vision tasks such as re-identification(reID). In this paper, we suggest that these dramatic appearance changes are indications that an object ID is composed of multiple natural groups, and it is counterproductive to forcefully map instances from different groups to a common location. This leads us to introduce Relation Preserving Triplet Mining (RPTM), a feature-matching guided triplet mining scheme, that ensures that triplets will respect the natural subgroupings within an object ID. We use this triplet mining mechanism to establish a pose-aware, well-conditioned triplet loss by implicitly enforcing view consistency. This allows a single network to be trained with fixed parameters across datasets while providing state-of-the-art results. Code is available at https://github.com/adhirajghosh/RPTM_reid.

Recent advancements in large language models (LLMs) have demonstrated that progressive refinement, rather than providing a single answer, results in more accurate and thoughtful outputs. However, existing methods often rely heavily on supervision signals to evaluate previous responses, making it difficult to assess output quality in more open-ended scenarios effectively. Additionally, these methods are typically designed for specific tasks, which limits their generalization to new domains. To address these limitations, we propose Progressive Thought Refinement (PTR), a framework that enables LLMs to refine their responses progressively. PTR operates in two phases: (1) Thought data construction stage: We propose a weak and strong model collaborative selection strategy to build a high-quality progressive refinement dataset to ensure logical consistency from thought to answers, and the answers are gradually refined in each round. (2) Thought-Mask Fine-Tuning Phase: We design a training structure to mask the "thought" and adjust loss weights to encourage LLMs to refine prior thought, teaching them to implicitly understand "how to improve" rather than "what is correct." Experimental results show that PTR significantly enhances LLM performance across ten diverse tasks (avg. from 49.6% to 53.5%) without task-specific fine-tuning. Notably, in more open-ended tasks, LLMs also demonstrate substantial improvements in the quality of responses beyond mere accuracy, suggesting that PTR truly teaches LLMs to self-improve over time.

We present DreamPolisher, a novel Gaussian Splatting based method with geometric guidance, tailored to learn cross-view consistency and intricate detail from textual descriptions. While recent progress on text-to-3D generation methods have been promising, prevailing methods often fail to ensure view-consistency and textural richness. This problem becomes particularly noticeable for methods that work with text input alone. To address this, we propose a two-stage Gaussian Splatting based approach that enforces geometric consistency among views. Initially, a coarse 3D generation undergoes refinement via geometric optimization. Subsequently, we use a ControlNet driven refiner coupled with the geometric consistency term to improve both texture fidelity and overall consistency of the generated 3D asset. Empirical evaluations across diverse textual prompts spanning various object categories demonstrate the efficacy of DreamPolisher in generating consistent and realistic 3D objects, aligning closely with the semantics of the textual instructions.

Automated paper reproduction has emerged as a promising approach to accelerate scientific research, employing multi-step workflow frameworks to systematically convert academic papers into executable code. However, existing frameworks often lack mechanisms to verify and refine the outputs at each generation step, or rely heavily on manually designed prompts for self-refinement, which limits their adaptability and scalability. To address these limitations, we propose a prompt-free collaborative agent framework that automatically enhances the quality of paper-to-code generation. Our approach employs two collaborative agents: a verification agent that examines whether the outputs at each step satisfy the requirements specified in the corresponding system prompt, and a refinement agent that revises the outputs based on the identified issues. Unlike previous methods that require human experts to craft specific refinement prompts for each step, our framework achieves automatic verification and improvement by leveraging only the original system prompts. We integrate our collaborative agents into the Paper2Code framework and conduct comprehensive experiments on PaperBench Code-Dev and Paper2CodeBench datasets. Experimental results demonstrate that our approach significantly improves the accuracy and completeness of reproduced code, achieving performance gains of approximately 15\% and 13\%, respectively, compared to the baseline without our agents. Furthermore, comparative experiments against Self-Refine validate the robustness and consistency of our prompt-free approach across different datasets.

In this paper, we introduce PI3D, a novel and efficient framework that utilizes the pre-trained text-to-image diffusion models to generate high-quality 3D shapes in minutes. On the one hand, it fine-tunes a pre-trained 2D diffusion model into a 3D diffusion model, enabling both 3D generative capabilities and generalization derived from the 2D model. On the other, it utilizes score distillation sampling of 2D diffusion models to quickly improve the quality of the sampled 3D shapes. PI3D enables the migration of knowledge from image to triplane generation by treating it as a set of pseudo-images. We adapt the modules in the pre-training model to enable hybrid training using pseudo and real images, which has proved to be a well-established strategy for improving generalizability. The efficiency of PI3D is highlighted by its ability to sample diverse 3D models in seconds and refine them in minutes. The experimental results confirm the advantages of PI3D over existing methods based on either 3D diffusion models or lifting 2D diffusion models in terms of fast generation of 3D consistent and high-quality models. The proposed PI3D stands as a promising advancement in the field of text-to-3D generation, and we hope it will inspire more research into 3D generation leveraging the knowledge in both 2D and 3D data.

The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success in generating novel, functional protein backbones that have not been observed in nature. However, there exists no principled methodological framework for diffusion on SE(3), the space of orientation preserving rigid motions in R3, that operates on frames and confers the group invariance. We address these shortcomings by developing theoretical foundations of SE(3) invariant diffusion models on multiple frames followed by a novel framework, FrameDiff, for learning the SE(3) equivariant score over multiple frames. We apply FrameDiff on monomer backbone generation and find it can generate designable monomers up to 500 amino acids without relying on a pretrained protein structure prediction network that has been integral to previous methods. We find our samples are capable of generalizing beyond any known protein structure.

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.

Instruction-based garment editing enables precise image modifications via natural language, with broad applications in fashion design and customization. Unlike general editing tasks, it requires understanding garment-specific semantics and attribute dependencies. However, progress is limited by the scarcity of high-quality instruction-image pairs, as manual annotation is costly and hard to scale. While MLLMs have shown promise in automated data synthesis, their application to garment editing is constrained by imprecise instruction modeling and a lack of fashion-specific supervisory signals. To address these challenges, we present an automated pipeline for constructing a garment editing dataset. We first define six editing instruction categories aligned with real-world fashion workflows to guide the generation of balanced and diverse instruction-image triplets. Second, we introduce Fashion Edit Score, a semantic-aware evaluation metric that captures semantic dependencies between garment attributes and provides reliable supervision during construction. Using this pipeline, we construct a total of 52,257 candidate triplets and retain 20,596 high-quality triplets to build EditGarment, the first instruction-based dataset tailored to standalone garment editing. The project page is https://yindq99.github.io/EditGarment-project/.

Generative 3D reconstruction shows strong potential in incomplete observations. While sparse-view and single-image reconstruction are well-researched, partial observation remains underexplored. In this context, dense views are accessible only from a specific angular range, with other perspectives remaining inaccessible. This task presents two main challenges: (i) limited View Range: observations confined to a narrow angular scope prevent effective traditional interpolation techniques that require evenly distributed perspectives. (ii) inconsistent Generation: views created for invisible regions often lack coherence with both visible regions and each other, compromising reconstruction consistency. To address these challenges, we propose \method, a novel training-free approach that integrates the local dense observations and multi-source priors for reconstruction. Our method introduces a fusion-based strategy to effectively align these priors in DDIM sampling, thereby generating multi-view consistent images to supervise invisible views. We further design an iterative refinement strategy, which uses the geometric structures of the object to enhance reconstruction quality. Extensive experiments on multiple datasets show the superiority of our method over SOTAs, especially in invisible regions.

Modern 3D generation methods can rapidly create shapes from sparse or single views, but their outputs often lack geometric detail due to computational constraints. We present DetailGen3D, a generative approach specifically designed to enhance these generated 3D shapes. Our key insight is to model the coarse-to-fine transformation directly through data-dependent flows in latent space, avoiding the computational overhead of large-scale 3D generative models. We introduce a token matching strategy that ensures accurate spatial correspondence during refinement, enabling local detail synthesis while preserving global structure. By carefully designing our training data to match the characteristics of synthesized coarse shapes, our method can effectively enhance shapes produced by various 3D generation and reconstruction approaches, from single-view to sparse multi-view inputs. Extensive experiments demonstrate that DetailGen3D achieves high-fidelity geometric detail synthesis while maintaining efficiency in training.

The focus of this paper is on 3D motion editing. Given a 3D human motion and a textual description of the desired modification, our goal is to generate an edited motion as described by the text. The key challenges include the scarcity of training data and the need to design a model that accurately edits the source motion. In this paper, we address both challenges. We propose a methodology to semi-automatically collect a dataset of triplets comprising (i) a source motion, (ii) a target motion, and (iii) an edit text, introducing the new MotionFix dataset. Access to this data allows us to train a conditional diffusion model, TMED, that takes both the source motion and the edit text as input. We develop several baselines to evaluate our model, comparing it against models trained solely on text-motion pair datasets, and demonstrate the superior performance of our model trained on triplets. We also introduce new retrieval-based metrics for motion editing, establishing a benchmark on the evaluation set of MotionFix. Our results are promising, paving the way for further research in fine-grained motion generation. Code, models, and data are available at https://motionfix.is.tue.mpg.de/ .

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

Extensive LLM applications demand efficient structured generations, particularly for LR(1) grammars, to produce outputs in specified formats (e.g., JSON). Existing methods primarily parse LR(1) grammars into a pushdown automaton (PDA), leading to runtime execution overhead for context-dependent token processing, especially inefficient under large inference batches. To address these issues, we propose Pre^3 that exploits deterministic pushdown automata (DPDA) to optimize the constrained LLM decoding efficiency. First, by precomputing prefix-conditioned edges during the preprocessing, Pre^3 enables ahead-of-time edge analysis and thus makes parallel transition processing possible. Second, by leveraging the prefix-conditioned edges, Pre^3 introduces a novel approach that transforms LR(1) transition graphs into DPDA, eliminating the need for runtime path exploration and achieving edge transitions with minimal overhead. Pre^3 can be seamlessly integrated into standard LLM inference frameworks, reducing time per output token (TPOT) by up to 40% and increasing throughput by up to 36% in our experiments. Our code is available at https://github.com/ModelTC/lightllm.

Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their widespread adoption in the biomolecular domain has been limited by a lack of either systematic performance benchmarks or a unified toolkit for interacting with molecular data. To address this, we present ATOM3D, a collection of both novel and existing benchmark datasets spanning several key classes of biomolecules. We implement several classes of three-dimensional molecular learning methods for each of these tasks and show that they consistently improve performance relative to methods based on one- and two-dimensional representations. The specific choice of architecture proves to be critical for performance, with three-dimensional convolutional networks excelling at tasks involving complex geometries, graph networks performing well on systems requiring detailed positional information, and the more recently developed equivariant networks showing significant promise. Our results indicate that many molecular problems stand to gain from three-dimensional molecular learning, and that there is potential for improvement on many tasks which remain underexplored. To lower the barrier to entry and facilitate further developments in the field, we also provide a comprehensive suite of tools for dataset processing, model training, and evaluation in our open-source atom3d Python package. All datasets are available for download from https://www.atom3d.ai .

Recent advances in self-refinement have demonstrated significant potential for improving the outputs of large language models (LLMs) through iterative refinement. However, most existing self-refinement methods rely on a reactive process with a fixed number of iterations, making it difficult to determine the optimal timing and content of refinement based on the evolving generation context. Inspired by the way humans dynamically refine their thoughts during execution, we propose ProActive Self-Refinement (PASR), a novel method that enables LLMs to refine their outputs during the generation process. Unlike methods that regenerate entire responses, PASR proactively decides whether, when, and how to refine based on the model's internal state and evolving context. We conduct extensive experiments on a diverse set of 10 tasks to evaluate the effectiveness of PASR. Experimental results show that PASR significantly enhances problem-solving performance. In particular, on Qwen3-8B, PASR reduces average token consumption by 41.6 percent compared to standard generation, while also achieving an 8.2 percent improvement in accuracy. Our code and all baselines used in the paper are available in the GitHub.

In deep metric learning, the Triplet Loss has emerged as a popular method to learn many computer vision and natural language processing tasks such as facial recognition, object detection, and visual-semantic embeddings. One issue that plagues the Triplet Loss is network collapse, an undesirable phenomenon where the network projects the embeddings of all data onto a single point. Researchers predominately solve this problem by using triplet mining strategies. While hard negative mining is the most effective of these strategies, existing formulations lack strong theoretical justification for their empirical success. In this paper, we utilize the mathematical theory of isometric approximation to show an equivalence between the Triplet Loss sampled by hard negative mining and an optimization problem that minimizes a Hausdorff-like distance between the neural network and its ideal counterpart function. This provides the theoretical justifications for hard negative mining's empirical efficacy. In addition, our novel application of the isometric approximation theorem provides the groundwork for future forms of hard negative mining that avoid network collapse. Our theory can also be extended to analyze other Euclidean space-based metric learning methods like Ladder Loss or Contrastive Learning.

Text-to-3D synthesis has recently seen intriguing advances by combining the text-to-image models with 3D representation methods, e.g., Gaussian Splatting (GS), via Score Distillation Sampling (SDS). However, a hurdle of existing methods is the low efficiency, per-prompt optimization for a single 3D object. Therefore, it is imperative for a paradigm shift from per-prompt optimization to one-stage generation for any unseen text prompts, which yet remains challenging. A hurdle is how to directly generate a set of millions of 3D Gaussians to represent a 3D object. This paper presents BrightDreamer, an end-to-end single-stage approach that can achieve generalizable and fast (77 ms) text-to-3D generation. Our key idea is to formulate the generation process as estimating the 3D deformation from an anchor shape with predefined positions. For this, we first propose a Text-guided Shape Deformation (TSD) network to predict the deformed shape and its new positions, used as the centers (one attribute) of 3D Gaussians. To estimate the other four attributes (i.e., scaling, rotation, opacity, and SH coefficient), we then design a novel Text-guided Triplane Generator (TTG) to generate a triplane representation for a 3D object. The center of each Gaussian enables us to transform the triplane feature into the four attributes. The generated 3D Gaussians can be finally rendered at 705 frames per second. Extensive experiments demonstrate the superiority of our method over existing methods. Also, BrightDreamer possesses a strong semantic understanding capability even for complex text prompts. The project code is available at https://vlislab22.github.io/BrightDreamer.

When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task which displays these symmetries. Recent work in this area has successfully made use of an SE(3)-equivariant model, applying an iterative SE(3)-equivariant attention mechanism. Motivated by this application, we implement an iterative version of the SE(3)-Transformer, an SE(3)-equivariant attention-based model for graph data. We address the additional complications which arise when applying the SE(3)-Transformer in an iterative fashion, compare the iterative and single-pass versions on a toy problem, and consider why an iterative model may be beneficial in some problem settings. We make the code for our implementation available to the community.

Obtaining the desired effect of drugs is highly dependent on their molecular geometries. Thus, the current prevailing paradigm focuses on 3D point-cloud atom representations, utilizing graph neural network (GNN) parametrizations, with rotational symmetries baked in via E(3) invariant layers. We prove that such models must necessarily disregard chirality, a geometric property of the molecules that cannot be superimposed on their mirror image by rotation and translation. Chirality plays a key role in determining drug safety and potency. To address this glaring issue, we introduce a novel field-based representation, proposing reference rotations that replace rotational symmetry constraints. The proposed model captures all molecular geometries including chirality, while still achieving highly competitive performance with E(3)-based methods across standard benchmarking metrics.

Lensless imaging offers a significant opportunity to develop ultra-compact cameras by removing the conventional bulky lens system. However, without a focusing element, the sensor's output is no longer a direct image but a complex multiplexed scene representation. Traditional methods have attempted to address this challenge by employing learnable inversions and refinement models, but these methods are primarily designed for 2D reconstruction and do not generalize well to 3D reconstruction. We introduce GANESH, a novel framework designed to enable simultaneous refinement and novel view synthesis from multi-view lensless images. Unlike existing methods that require scene-specific training, our approach supports on-the-fly inference without retraining on each scene. Moreover, our framework allows us to tune our model to specific scenes, enhancing the rendering and refinement quality. To facilitate research in this area, we also present the first multi-view lensless dataset, LenslessScenes. Extensive experiments demonstrate that our method outperforms current approaches in reconstruction accuracy and refinement quality. Code and video results are available at https://rakesh-123-cryp.github.io/Rakesh.github.io/

We introduce refutationally complete superposition calculi for intentional and extensional clausal lambda-free higher-order logic, two formalisms that allow partial application and applied variables. The calculi are parameterized by a term order that need not be fully monotonic, making it possible to employ the lambda-free higher-order lexicographic path and Knuth-Bendix orders. We implemented the calculi in the Zipperposition prover and evaluated them on Isabelle/HOL and TPTP benchmarks. They appear promising as a stepping stone towards complete, highly efficient automatic theorem provers for full higher-order logic.

Antibody design is an essential yet challenging task in various domains like therapeutics and biology. There are two major defects in current learning-based methods: 1) tackling only a certain subtask of the whole antibody design pipeline, making them suboptimal or resource-intensive. 2) omitting either the framework regions or side chains, thus incapable of capturing the full-atom geometry. To address these pitfalls, we propose dynamic Multi-channel Equivariant grAph Network (dyMEAN), an end-to-end full-atom model for E(3)-equivariant antibody design given the epitope and the incomplete sequence of the antibody. Specifically, we first explore structural initialization as a knowledgeable guess of the antibody structure and then propose shadow paratope to bridge the epitope-antibody connections. Both 1D sequences and 3D structures are updated via an adaptive multi-channel equivariant encoder that is able to process protein residues of variable sizes when considering full atoms. Finally, the updated antibody is docked to the epitope via the alignment of the shadow paratope. Experiments on epitope-binding CDR-H3 design, complex structure prediction, and affinity optimization demonstrate the superiority of our end-to-end framework and full-atom modeling.

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.

This paper introduces the MCT Self-Refine (MCTSr) algorithm, an innovative integration of Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS), designed to enhance performance in complex mathematical reasoning tasks. Addressing the challenges of accuracy and reliability in LLMs, particularly in strategic and mathematical reasoning, MCTSr leverages systematic exploration and heuristic self-refine mechanisms to improve decision-making frameworks within LLMs. The algorithm constructs a Monte Carlo search tree through iterative processes of Selection, self-refine, self-evaluation, and Backpropagation, utilizing an improved Upper Confidence Bound (UCB) formula to optimize the exploration-exploitation balance. Extensive experiments demonstrate MCTSr's efficacy in solving Olympiad-level mathematical problems, significantly improving success rates across multiple datasets, including GSM8K, GSM Hard, MATH, and Olympiad-level benchmarks, including Math Odyssey, AIME, and OlympiadBench. The study advances the application of LLMs in complex reasoning tasks and sets a foundation for future AI integration, enhancing decision-making accuracy and reliability in LLM-driven applications.

Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs. Despite recent advancements in geometric deep learning-based approaches leading to improvements in blind docking efficiency, these methods have encountered notable challenges, such as limited generalization performance on unseen proteins, the inability to concurrently address the settings of blind docking and site-specific docking, and the frequent occurrence of physical implausibilities such as inter-molecular steric clash. In this study, we introduce DeltaDock, a robust and versatile framework designed for efficient molecular docking to overcome these challenges. DeltaDock operates in a two-step process: rapid initial complex structures sampling followed by multi-scale iterative refinement of the initial structures. In the initial stage, to sample accurate structures with high efficiency, we develop a ligand-dependent binding site prediction model founded on large protein models and graph neural networks. This model is then paired with GPU-accelerated sampling algorithms. The sampled structures are updated using a multi-scale iterative refinement module that captures both protein-ligand atom-atom interactions and residue-atom interactions in the following stage. Distinct from previous geometric deep learning methods that are conditioned on the blind docking setting, DeltaDock demonstrates superior performance in both blind docking and site-specific docking settings. Comprehensive experimental results reveal that DeltaDock consistently surpasses baseline methods in terms of docking accuracy. Furthermore, it displays remarkable generalization capabilities and proficiency for predicting physically valid structures, thereby attesting to its robustness and reliability in various scenarios.

Few-shot learning is a challenging area of research that aims to learn new concepts with only a few labeled samples of data. Recent works based on metric-learning approaches leverage the meta-learning approach, which is encompassed by episodic tasks that make use a support (training) and query set (test) with the objective of learning a similarity comparison metric between those sets. Due to the lack of data, the learning process of the embedding network becomes an important part of the few-shot task. Previous works have addressed this problem using metric learning approaches, but the properties of the underlying latent space and the separability of the difference classes on it was not entirely enforced. In this work, we propose two different loss functions which consider the importance of the embedding vectors by looking at the intra-class and inter-class distance between the few data. The first loss function is the Proto-Triplet Loss, which is based on the original triplet loss with the modifications needed to better work on few-shot scenarios. The second loss function, which we dub ICNN loss is based on an inter and intra class nearest neighbors score, which help us to assess the quality of embeddings obtained from the trained network. Our results, obtained from a extensive experimental setup show a significant improvement in accuracy in the miniImagenNet benchmark compared to other metric-based few-shot learning methods by a margin of 2%, demonstrating the capability of these loss functions to allow the network to generalize better to previously unseen classes. In our experiments, we demonstrate competitive generalization capabilities to other domains, such as the Caltech CUB, Dogs and Cars datasets compared with the state of the art.

We propose an unsupervised model for instruction-based image editing that eliminates the need for ground-truth edited images during training. Existing supervised methods depend on datasets containing triplets of input image, edited image, and edit instruction. These are generated by either existing editing methods or human-annotations, which introduce biases and limit their generalization ability. Our method addresses these challenges by introducing a novel editing mechanism called Cycle Edit Consistency (CEC), which applies forward and backward edits in one training step and enforces consistency in image and attention spaces. This allows us to bypass the need for ground-truth edited images and unlock training for the first time on datasets comprising either real image-caption pairs or image-caption-edit triplets. We empirically show that our unsupervised technique performs better across a broader range of edits with high fidelity and precision. By eliminating the need for pre-existing datasets of triplets, reducing biases associated with supervised methods, and proposing CEC, our work represents a significant advancement in unblocking scaling of instruction-based image editing.

We present a two-stage text-to-3D generation system, namely 3DTopia, which generates high-quality general 3D assets within 5 minutes using hybrid diffusion priors. The first stage samples from a 3D diffusion prior directly learned from 3D data. Specifically, it is powered by a text-conditioned tri-plane latent diffusion model, which quickly generates coarse 3D samples for fast prototyping. The second stage utilizes 2D diffusion priors to further refine the texture of coarse 3D models from the first stage. The refinement consists of both latent and pixel space optimization for high-quality texture generation. To facilitate the training of the proposed system, we clean and caption the largest open-source 3D dataset, Objaverse, by combining the power of vision language models and large language models. Experiment results are reported qualitatively and quantitatively to show the performance of the proposed system. Our codes and models are available at https://github.com/3DTopia/3DTopia

Recent works on 3D reconstruction from posed images have demonstrated that direct inference of scene-level 3D geometry without test-time optimization is feasible using deep neural networks, showing remarkable promise and high efficiency. However, the reconstructed geometry, typically represented as a 3D truncated signed distance function (TSDF), is often coarse without fine geometric details. To address this problem, we propose three effective solutions for improving the fidelity of inference-based 3D reconstructions. We first present a resolution-agnostic TSDF supervision strategy to provide the network with a more accurate learning signal during training, avoiding the pitfalls of TSDF interpolation seen in previous work. We then introduce a depth guidance strategy using multi-view depth estimates to enhance the scene representation and recover more accurate surfaces. Finally, we develop a novel architecture for the final layers of the network, conditioning the output TSDF prediction on high-resolution image features in addition to coarse voxel features, enabling sharper reconstruction of fine details. Our method, FineRecon, produces smooth and highly accurate reconstructions, showing significant improvements across multiple depth and 3D reconstruction metrics.

Triplet networks are widely used models that are characterized by good performance in classification and retrieval tasks. In this work we propose to train a triplet network by putting it as the discriminator in Generative Adversarial Nets (GANs). We make use of the good capability of representation learning of the discriminator to increase the predictive quality of the model. We evaluated our approach on Cifar10 and MNIST datasets and observed significant improvement on the classification performance using the simple k-nn method.

Large language models have shown surprising performances in understanding instructions and performing natural language tasks. In this paper, we propose iterative translation refinement to leverage the power of large language models for more natural translation and post-editing. We show that by simply involving a large language model in an iterative process, the output quality improves beyond mere translation. Extensive test scenarios with GPT-3.5 reveal that although iterations reduce string-based metric scores, neural metrics indicate comparable if not improved translation quality. Further, human evaluations demonstrate that our method effectively reduces translationese compared to initial GPT translations and even human references, especially for into-English directions. Ablation studies underscore the importance of anchoring the refinement process to the source input and a reasonable initial translation.

We propose a novel approach for 3D mesh reconstruction from multi-view images. Our method takes inspiration from large reconstruction models like LRM that use a transformer-based triplane generator and a Neural Radiance Field (NeRF) model trained on multi-view images. However, in our method, we introduce several important modifications that allow us to significantly enhance 3D reconstruction quality. First of all, we examine the original LRM architecture and find several shortcomings. Subsequently, we introduce respective modifications to the LRM architecture, which lead to improved multi-view image representation and more computationally efficient training. Second, in order to improve geometry reconstruction and enable supervision at full image resolution, we extract meshes from the NeRF field in a differentiable manner and fine-tune the NeRF model through mesh rendering. These modifications allow us to achieve state-of-the-art performance on both 2D and 3D evaluation metrics, such as a PSNR of 28.67 on Google Scanned Objects (GSO) dataset. Despite these superior results, our feed-forward model still struggles to reconstruct complex textures, such as text and portraits on assets. To address this, we introduce a lightweight per-instance texture refinement procedure. This procedure fine-tunes the triplane representation and the NeRF color estimation model on the mesh surface using the input multi-view images in just 4 seconds. This refinement improves the PSNR to 29.79 and achieves faithful reconstruction of complex textures, such as text. Additionally, our approach enables various downstream applications, including text- or image-to-3D generation.

Absolute Pose Regression (APR) methods use deep neural networks to directly regress camera poses from RGB images. However, the predominant APR architectures only rely on 2D operations during inference, resulting in limited accuracy of pose estimation due to the lack of 3D geometry constraints or priors. In this work, we propose a test-time refinement pipeline that leverages implicit geometric constraints using a robust feature field to enhance the ability of APR methods to use 3D information during inference. We also introduce a novel Neural Feature Synthesizer (NeFeS) model, which encodes 3D geometric features during training and directly renders dense novel view features at test time to refine APR methods. To enhance the robustness of our model, we introduce a feature fusion module and a progressive training strategy. Our proposed method achieves state-of-the-art single-image APR accuracy on indoor and outdoor datasets.

Learning from Label Proportions (LLP) is a learning problem where only aggregate level labels are available for groups of instances, called bags, during training, and the aim is to get the best performance at the instance-level on the test data. This setting arises in domains like advertising and medicine due to privacy considerations. We propose a novel algorithmic framework for this problem that iteratively performs two main steps. For the first step (Pseudo Labeling) in every iteration, we define a Gibbs distribution over binary instance labels that incorporates a) covariate information through the constraint that instances with similar covariates should have similar labels and b) the bag level aggregated label. We then use Belief Propagation (BP) to marginalize the Gibbs distribution to obtain pseudo labels. In the second step (Embedding Refinement), we use the pseudo labels to provide supervision for a learner that yields a better embedding. Further, we iterate on the two steps again by using the second step's embeddings as new covariates for the next iteration. In the final iteration, a classifier is trained using the pseudo labels. Our algorithm displays strong gains against several SOTA baselines (up to 15%) for the LLP Binary Classification problem on various dataset types - tabular and Image. We achieve these improvements with minimal computational overhead above standard supervised learning due to Belief Propagation, for large bag sizes, even for a million samples.

Existing research addresses scene graph generation (SGG) -- a critical technology for scene understanding in images -- from a detection perspective, i.e., objects are detected using bounding boxes followed by prediction of their pairwise relationships. We argue that such a paradigm causes several problems that impede the progress of the field. For instance, bounding box-based labels in current datasets usually contain redundant classes like hairs, and leave out background information that is crucial to the understanding of context. In this work, we introduce panoptic scene graph generation (PSG), a new problem task that requires the model to generate a more comprehensive scene graph representation based on panoptic segmentations rather than rigid bounding boxes. A high-quality PSG dataset, which contains 49k well-annotated overlapping images from COCO and Visual Genome, is created for the community to keep track of its progress. For benchmarking, we build four two-stage baselines, which are modified from classic methods in SGG, and two one-stage baselines called PSGTR and PSGFormer, which are based on the efficient Transformer-based detector, i.e., DETR. While PSGTR uses a set of queries to directly learn triplets, PSGFormer separately models the objects and relations in the form of queries from two Transformer decoders, followed by a prompting-like relation-object matching mechanism. In the end, we share insights on open challenges and future directions.

In the past few years, the field of computer vision has gone through a revolution fueled mainly by the advent of large datasets and the adoption of deep convolutional neural networks for end-to-end learning. The person re-identification subfield is no exception to this. Unfortunately, a prevailing belief in the community seems to be that the triplet loss is inferior to using surrogate losses (classification, verification) followed by a separate metric learning step. We show that, for models trained from scratch as well as pretrained ones, using a variant of the triplet loss to perform end-to-end deep metric learning outperforms most other published methods by a large margin.

This paper proposes a new method for accurate and robust 6D pose estimation of novel objects, named GS2Pose. By introducing 3D Gaussian splatting, GS2Pose can utilize the reconstruction results without requiring a high-quality CAD model, which means it only requires segmented RGBD images as input. Specifically, GS2Pose employs a two-stage structure consisting of coarse estimation followed by refined estimation. In the coarse stage, a lightweight U-Net network with a polarization attention mechanism, called Pose-Net, is designed. By using the 3DGS model for supervised training, Pose-Net can generate NOCS images to compute a coarse pose. In the refinement stage, GS2Pose formulates a pose regression algorithm following the idea of reprojection or Bundle Adjustment (BA), referred to as GS-Refiner. By leveraging Lie algebra to extend 3DGS, GS-Refiner obtains a pose-differentiable rendering pipeline that refines the coarse pose by comparing the input images with the rendered images. GS-Refiner also selectively updates parameters in the 3DGS model to achieve environmental adaptation, thereby enhancing the algorithm's robustness and flexibility to illuminative variation, occlusion, and other challenging disruptive factors. GS2Pose was evaluated through experiments conducted on the LineMod dataset, where it was compared with similar algorithms, yielding highly competitive results. The code for GS2Pose will soon be released on GitHub.

AlphaFold has transformed protein structure prediction, but emerging applications such as virtual ligand screening, proteome-wide folding, and de novo binder design demand predictions at a massive scale, where runtime and memory costs become prohibitive. A major bottleneck lies in the Pairformer backbone of AlphaFold3-style models, which relies on computationally expensive triangular primitives-especially triangle attention-for pairwise reasoning. We introduce Pairmixer, a streamlined alternative that eliminates triangle attention while preserving higher-order geometric reasoning capabilities that are critical for structure prediction. Pairmixer substantially improves computational efficiency, matching state-of-the-art structure predictors across folding and docking benchmarks, delivering up to 4x faster inference on long sequences while reducing training cost by 34%. Its efficiency alleviates the computational burden of downstream applications such as modeling large protein complexes, high-throughput ligand and binder screening, and hallucination-based design. Within BoltzDesign, for example, Pairmixer delivers over 2x faster sampling and scales to sequences ~30% longer than the memory limits of Pairformer.

Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis planning as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intractable discrete distributions accessible via a finite sample of coupled data points. Our framework is based on the concept of a Markov bridge, a Markov process pinned at its endpoints. Unlike diffusion-based methods, our Markov Bridge Model does not need a tractable noise distribution as a sampling proxy and directly operates on the input product molecules as samples from the intractable prior distribution. We then address the retrosynthesis planning problem with our novel framework and introduce RetroBridge, a template-free retrosynthesis modeling approach that achieves state-of-the-art results on standard evaluation benchmarks.

Rigorous performance evaluation is essential for developing robust algorithms for high-throughput computational chemistry. Traditional benchmarking, however, often struggles to account for system-specific variability, making it difficult to form actionable conclusions. We present a Bayesian hierarchical modeling framework that rigorously quantifies performance metrics and their uncertainty, enabling a nuanced comparison of algorithmic strategies. We apply this framework to analyze the Dimer method, comparing Conjugate Gradient (CG) and L-BFGS rotation optimizers, with and without the removal of external rotations, across a benchmark of 500 molecular systems. Our analysis confirms that CG offers higher overall robustness than L-BFGS in this context. While the theoretically-motivated removal of external rotations led to higher computational cost (>40% more energy and force calls) for most systems in this set, our models also reveal a subtle interplay, hinting that this feature may improve the reliability of the L-BFGS optimizer. Rather than identifying a single superior method, our findings support the design of adaptive "chain of methods" workflows. This work showcases how a robust statistical paradigm can move beyond simple performance rankings to inform the intelligent, context-dependent application of computational chemistry methods.

Autoformalization, which translates natural language mathematics into machine-verifiable formal statements, is critical for using formal mathematical reasoning to solve math problems stated in natural language. While Large Language Models can generate syntactically correct formal statements, they often fail to preserve the original problem's semantic intent. This limitation arises from the LLM approaches' treating autoformalization as a simplistic translation task which lacks mechanisms for self-reflection and iterative refinement that human experts naturally employ. To address these issues, we propose ReForm, a Reflective Autoformalization method that tightly integrates semantic consistency evaluation into the autoformalization process. This enables the model to iteratively generate formal statements, assess its semantic fidelity, and self-correct identified errors through progressive refinement. To effectively train this reflective model, we introduce Prospective Bounded Sequence Optimization (PBSO), which employs different rewards at different sequence positions to ensure that the model develops both accurate autoformalization and correct semantic validations, preventing superficial critiques that would undermine the purpose of reflection. Extensive experiments across four autoformalization benchmarks demonstrate that ReForm achieves an average improvement of 17.2 percentage points over the strongest baselines. To further ensure evaluation reliability, we introduce ConsistencyCheck, a benchmark of 859 expert-annotated items that not only validates LLMs as judges but also reveals that autoformalization is inherently difficult: even human experts produce semantic errors in up to 38.5% of cases.

Accurate mathematical reasoning with Large Language Models (LLMs) is crucial in revolutionizing domains that heavily rely on such reasoning. However, LLMs often encounter difficulties in certain aspects of mathematical reasoning, leading to flawed reasoning and erroneous results. To mitigate these issues, we introduce a novel mechanism, the Chain of Self-Correction (CoSC), specifically designed to embed self-correction as an inherent ability in LLMs, enabling them to validate and rectify their own results. The CoSC mechanism operates through a sequence of self-correction stages. In each stage, the LLMs generate a program to address a given problem, execute this program using program-based tools to obtain an output, subsequently verify this output. Based on the verification, the LLMs either proceed to the next correction stage or finalize the answer. This iterative self-correction process allows the LLMs to refine their reasoning steps and improve the accuracy of their mathematical reasoning. To enable the CoSC mechanism at a low cost, we employ a two-phase finetuning approach. In the first phase, the LLMs are trained with a relatively small volume of seeding data generated from GPT-4, establishing an initial CoSC capability. In the second phase, the CoSC capability is further enhanced by training with a larger volume of self-generated data using the trained model in the first phase, without relying on the paid GPT-4. Our comprehensive experiments demonstrate that CoSC significantly improves performance on traditional mathematical datasets among existing open-source LLMs. Notably, our CoSC-Code-34B model achieved a 53.5% score on MATH, the most challenging mathematical reasoning dataset in the public domain, surpassing the performance of well-established models such as ChatGPT, GPT-4, and even multi-modal LLMs like GPT-4V, Gemini-1.0 Pro, and Gemini-1.0 Ultra.

We study the problem of extrapolative controlled generation, i.e., generating sequences with attribute values beyond the range seen in training. This task is of significant importance in automated design, especially drug discovery, where the goal is to design novel proteins that are better (e.g., more stable) than existing sequences. Thus, by definition, the target sequences and their attribute values are out of the training distribution, posing challenges to existing methods that aim to directly generate the target sequence. Instead, in this work, we propose Iterative Controlled Extrapolation (ICE) which iteratively makes local edits to a sequence to enable extrapolation. We train the model on synthetically generated sequence pairs that demonstrate small improvement in the attribute value. Results on one natural language task (sentiment analysis) and two protein engineering tasks (ACE2 stability and AAV fitness) show that ICE considerably outperforms state-of-the-art approaches despite its simplicity. Our code and models are available at: https://github.com/vishakhpk/iter-extrapolation.

We propose a new view synthesis method via synthesizing a 3D neural field from both single or few-view input images. To address the ill-posed nature of the image-to-3D generation problem, we devise a two-stage method that involves a reconstruction model and a diffusion model for view synthesis. Our reconstruction model first lifts one or more input images to the 3D space from a volume as the coarse-scale 3D representation followed by a tri-plane as the fine-scale 3D representation. To mitigate the ambiguity in occluded regions, our diffusion model then hallucinates missing details in the rendered images from tri-planes. We then introduce a new progressive refinement technique that iteratively applies the reconstruction and diffusion model to gradually synthesize novel views, boosting the overall quality of the 3D representations and their rendering. Empirical evaluation demonstrates the superiority of our method over state-of-the-art methods on the synthetic SRN-Car dataset, the in-the-wild CO3D dataset, and large-scale Objaverse dataset while achieving both sampling efficacy and multi-view consistency.

High-quality training triplets (instruction, original image, edited image) are essential for instruction-based image editing. Predominant training datasets (e.g., InsPix2Pix) are created using text-to-image generative models (e.g., Stable Diffusion, DALL-E) which are not trained for image editing. Accordingly, these datasets suffer from inaccurate instruction following, poor detail preserving, and generation artifacts. In this paper, we propose to address the training data quality issue with multi-perspective reward data instead of refining the ground-truth image quality. 1) we first design a quantitative metric system based on best-in-class LVLM (Large Vision Language Model), i.e., GPT-4o in our case, to evaluate the generation quality from 3 perspectives, namely, instruction following, detail preserving, and generation quality. For each perspective, we collected quantitative score in 0sim 5 and text descriptive feedback on the specific failure points in ground-truth edited images, resulting in a high-quality editing reward dataset, i.e., RewardEdit20K. 2) We further proposed a novel training framework to seamlessly integrate the metric output, regarded as multi-reward, into editing models to learn from the imperfect training triplets. During training, the reward scores and text descriptions are encoded as embeddings and fed into both the latent space and the U-Net of the editing models as auxiliary conditions. During inference, we set these additional conditions to the highest score with no text description for failure points, to aim at the best generation outcome. Experiments indicate that our multi-reward conditioned model outperforms its no-reward counterpart on two popular editing pipelines, i.e., InsPix2Pix and SmartEdit. The code and dataset will be released.

Reference-guided image generation has progressed rapidly, yet current diffusion models still struggle to preserve fine-grained visual details when refining a generated image using a reference. This limitation arises because VAE-based latent compression inherently discards subtle texture information, causing identity- and attribute-specific cues to vanish. Moreover, post-editing approaches that amplify local details based on existing methods often produce results inconsistent with the original image in terms of lighting, texture, or shape. To address this, we introduce , a detail-aware refinement framework that performs two consecutive stages of reference-driven correction to enhance pixel-level consistency. We first adapt a single-image diffusion editor by fine-tuning it to jointly ingest the draft image and the reference image, enabling globally coherent refinement while maintaining structural fidelity. We then apply reinforcement learning to further strengthen localized editing capability, explicitly optimizing for detail accuracy and semantic consistency. Extensive experiments demonstrate that significantly improves reference alignment and fine-grained detail preservation, producing faithful and visually coherent edits that surpass both open-source and commercial models on challenging reference-guided restoration benchmarks.

3D Gaussian Splatting (3DGS) has revolutionized neural rendering with its efficiency and quality, but like many novel view synthesis methods, it heavily depends on accurate camera poses from Structure-from-Motion (SfM) systems. Although recent SfM pipelines have made impressive progress, questions remain about how to further improve both their robust performance in challenging conditions (e.g., textureless scenes) and the precision of camera parameter estimation simultaneously. We present 3R-GS, a 3D Gaussian Splatting framework that bridges this gap by jointly optimizing 3D Gaussians and camera parameters from large reconstruction priors MASt3R-SfM. We note that naively performing joint 3D Gaussian and camera optimization faces two challenges: the sensitivity to the quality of SfM initialization, and its limited capacity for global optimization, leading to suboptimal reconstruction results. Our 3R-GS, overcomes these issues by incorporating optimized practices, enabling robust scene reconstruction even with imperfect camera registration. Extensive experiments demonstrate that 3R-GS delivers high-quality novel view synthesis and precise camera pose estimation while remaining computationally efficient. Project page: https://zsh523.github.io/3R-GS/

Recent advances in synthetic methods enable designing subunits that self-assemble into structures with well-defined sizes and architectures, but yields are frequently suppressed by the formation of off-target metastable structures. Increasing the complexity (number of distinct inter-subunit interaction types) can inhibit off-target structures, but leads to slower kinetics and higher synthesis costs. Here, we use icosahedral shells formed of programmable triangular subunits as a model system, and identify design principles that produce the highest target yield at the lowest complexity. We use a symmetry-based construction to create a range of design complexities, starting from the maximal symmetry Caspar-Klug assembly up to the fully addressable, zero-symmetry assembly. Kinetic Monte Carlo simulations reveal that the most prominent defects leading to off-target assemblies are a class of disclinations. We derive symmetry-based rules for identifying the optimal (lowest-complexity, highest-symmetry) design that inhibits these disclinations, leading to robust, high-fidelity assembly of targets with arbitrarily large sizes. Optimal complexity varies non-monotonically with target size, with `magic' sizes appearing for high-symmetry designs in which symmetry axes do not intersect vertices of the triangular net. The optimal designs at magic sizes require 12 times fewer inequivalent interaction-types than the (minimal symmetry) fully addressable construction.

Like humans, large language models (LLMs) do not always generate the best output on their first try. Motivated by how humans refine their written text, we introduce Self-Refine, an approach for improving initial outputs from LLMs through iterative feedback and refinement. The main idea is to generate an initial output using an LLMs; then, the same LLMs provides feedback for its output and uses it to refine itself, iteratively. Self-Refine does not require any supervised training data, additional training, or reinforcement learning, and instead uses a single LLM as the generator, refiner, and feedback provider. We evaluate Self-Refine across 7 diverse tasks, ranging from dialog response generation to mathematical reasoning, using state-of-the-art (GPT-3.5, ChatGPT, and GPT-4) LLMs. Across all evaluated tasks, outputs generated with Self-Refine are preferred by humans and automatic metrics over those generated with the same LLM using conventional one-step generation, improving by ~20% absolute on average in task performance. Our work demonstrates that even state-of-the-art LLMs like GPT-4 can be further improved at test time using our simple, standalone approach.

Autoformalization addresses the scarcity of data for Automated Theorem Proving (ATP) by translating mathematical problems from natural language into formal statements. Efforts in recent work shift from directly prompting large language models to training an end-to-end formalizer model from scratch, achieving remarkable advancements. However, existing formalizer still struggles to consistently generate valid statements that meet syntactic validity and semantic consistency. To address this issue, we propose the Autoformalizer with Tool Feedback (ATF), a novel approach that incorporates syntactic and consistency information as tools into the formalization process. By integrating Lean 4 compilers for syntax corrections and employing a multi-LLMs-as-judge approach for consistency validation, the model is able to adaptively refine generated statements according to the tool feedback, enhancing both syntactic validity and semantic consistency. The training of ATF involves a cold-start phase on synthetic tool-calling data, an expert iteration phase to improve formalization capabilities, and Direct Preference Optimization to alleviate ineffective revisions. Experimental results show that ATF markedly outperforms a range of baseline formalizer models, with its superior performance further validated by human evaluations. Subsequent analysis reveals that ATF demonstrates excellent inference scaling properties. Moreover, we open-source Numina-ATF, a dataset containing 750K synthetic formal statements to facilitate advancements in autoformalization and ATP research.

Instruction-based video editing allows effective and interactive editing of videos using only instructions without extra inputs such as masks or attributes. However, collecting high-quality training triplets (source video, edited video, instruction) is a challenging task. Existing datasets mostly consist of low-resolution, short duration, and limited amount of source videos with unsatisfactory editing quality, limiting the performance of trained editing models. In this work, we present a high-quality Instruction-based Video Editing dataset with 1M triplets, namely InsViE-1M. We first curate high-resolution and high-quality source videos and images, then design an effective editing-filtering pipeline to construct high-quality editing triplets for model training. For a source video, we generate multiple edited samples of its first frame with different intensities of classifier-free guidance, which are automatically filtered by GPT-4o with carefully crafted guidelines. The edited first frame is propagated to subsequent frames to produce the edited video, followed by another round of filtering for frame quality and motion evaluation. We also generate and filter a variety of video editing triplets from high-quality images. With the InsViE-1M dataset, we propose a multi-stage learning strategy to train our InsViE model, progressively enhancing its instruction following and editing ability. Extensive experiments demonstrate the advantages of our InsViE-1M dataset and the trained model over state-of-the-art works. Codes are available at InsViE.

Reconstructing complete and interactive 3D scenes remains a fundamental challenge in computer vision and robotics, particularly due to persistent object occlusions and limited sensor coverage. Multiview observations from a single scene scan often fail to capture the full structural details. Existing approaches typically rely on multi stage pipelines, such as segmentation, background completion, and inpainting or require per-object dense scanning, both of which are error-prone, and not easily scalable. We propose IGFuse, a novel framework that reconstructs interactive Gaussian scene by fusing observations from multiple scans, where natural object rearrangement between captures reveal previously occluded regions. Our method constructs segmentation aware Gaussian fields and enforces bi-directional photometric and semantic consistency across scans. To handle spatial misalignments, we introduce a pseudo-intermediate scene state for unified alignment, alongside collaborative co-pruning strategies to refine geometry. IGFuse enables high fidelity rendering and object level scene manipulation without dense observations or complex pipelines. Extensive experiments validate the framework's strong generalization to novel scene configurations, demonstrating its effectiveness for real world 3D reconstruction and real-to-simulation transfer. Our project page is available online.

3D Gaussian Splatting (3DGS) has shown its impressive power in novel view synthesis. However, creating relightable 3D assets, especially for objects with ill-defined shapes (e.g., fur), is still a challenging task. For these scenes, the decomposition between the light, geometry, and material is more ambiguous, as neither the surface constraints nor the analytical shading model hold. To address this issue, we propose RNG, a novel representation of relightable neural Gaussians, enabling the relighting of objects with both hard surfaces or fluffy boundaries. We avoid any assumptions in the shading model but maintain feature vectors, which can be further decoded by an MLP into colors, in each Gaussian point. Following prior work, we utilize a point light to reduce the ambiguity and introduce a shadow-aware condition to the network. We additionally propose a depth refinement network to help the shadow computation under the 3DGS framework, leading to better shadow effects under point lights. Furthermore, to avoid the blurriness brought by the alpha-blending in 3DGS, we design a hybrid forward-deferred optimization strategy. As a result, we achieve about 20times faster in training and about 600times faster in rendering than prior work based on neural radiance fields, with 60 frames per second on an RTX4090.

Large language models (LLMs) can refine their responses based on feedback, enabling self-improvement through iterative training or test-time refinement. However, existing methods predominantly focus on refinement within the same reasoning format, which may lead to non-correcting behaviors. We propose CaP, a novel approach that uses external tools to refine chain-of-thought (CoT) responses generated by the same or other LLMs. CaP employs a two-stage training process: supervised fine-tuning followed by preference optimization with DPO variants. Our observations highlight the critical role of preference optimization in enabling effective refinement. Additionally, we compare several sampling strategies to leverage CoT and tools at inference time. Experimental results demonstrate CaP's potential for effective cross-reasoning refinement and efficient inference.

In Composed Image Retrieval (CIR), a user combines a query image with text to describe their intended target. Existing methods rely on supervised learning of CIR models using labeled triplets consisting of the query image, text specification, and the target image. Labeling such triplets is expensive and hinders broad applicability of CIR. In this work, we propose to study an important task, Zero-Shot Composed Image Retrieval (ZS-CIR), whose goal is to build a CIR model without requiring labeled triplets for training. To this end, we propose a novel method, called Pic2Word, that requires only weakly labeled image-caption pairs and unlabeled image datasets to train. Unlike existing supervised CIR models, our model trained on weakly labeled or unlabeled datasets shows strong generalization across diverse ZS-CIR tasks, e.g., attribute editing, object composition, and domain conversion. Our approach outperforms several supervised CIR methods on the common CIR benchmark, CIRR and Fashion-IQ. Code will be made publicly available at https://github.com/google-research/composed_image_retrieval.

In the domain of code generation, self-debugging is crucial. It allows LLMs to refine their generated code based on execution feedback. This is particularly important because generating correct solutions in one attempt proves challenging for complex tasks. Prior works on self-debugging mostly focus on prompting methods by providing LLMs with few-shot examples, which work poorly on small open-sourced LLMs. In this work, we propose a training framework that significantly improves self-debugging capability of LLMs. Intuitively, we observe that a chain of explanations on the wrong code followed by code refinement helps LLMs better analyze the wrong code and do refinement. We thus propose an automated pipeline to collect a high-quality dataset for code explanation and refinement by generating a number of explanations and refinement trajectories and filtering via execution verification. We perform supervised fine-tuning (SFT) and further reinforcement learning (RL) on both success and failure trajectories with a novel reward design considering code explanation and refinement quality. SFT improves the pass@1 by up to 15.92% and pass@10 by 9.30% over four benchmarks. RL training brings additional up to 3.54% improvement on pass@1 and 2.55% improvement on pass@10. The trained LLMs show iterative refinement ability, and can keep refining code continuously. Lastly, our human evaluation shows that the LLMs trained with our framework generate more useful code explanations and help developers better understand bugs in source code.

We develop a framework, in the style of Adler, for interpreting the notion of "witnessing" that has appeared (usually as a variant of Kim's Lemma) in different areas of neostability theory as a binary relation between abstract independence relations. This involves extending the relativisations of Kim-independence and Conant-independence due to Mutchnik to arbitrary independence relations. After developing this framework, we show that several results from simplicity, NTP_2, NSOP_1, and beyond follow as instances of general theorems for abstract independence relations. In particular, we prove the equivalence between witnessing and symmetry and the implications from this notion to chain local character and the weak independence theorem, and recover some partial converses. Finally, we use this framework to prove a dichotomy between NSOP_1 and Kruckman and Ramsey's BTP that applies to most known NSOP_4 examples in the literature.

Human mathematicians are often good at recognizing modular and reusable theorems that make complex mathematical results within reach. In this paper, we propose a novel method called theoREm-from-prooF extrACTOR (REFACTOR) for training neural networks to mimic this ability in formal mathematical theorem proving. We show on a set of unseen proofs, REFACTOR is able to extract 19.6% of the theorems that humans would use to write the proofs. When applying the model to the existing Metamath library, REFACTOR extracted 16 new theorems. With newly extracted theorems, we show that the existing proofs in the MetaMath database can be refactored. The new theorems are used very frequently after refactoring, with an average usage of 733.5 times, and help shorten the proof lengths. Lastly, we demonstrate that the prover trained on the new-theorem refactored dataset proves more test theorems and outperforms state-of-the-art baselines by frequently leveraging a diverse set of newly extracted theorems. Code can be found at https://github.com/jinpz/refactor.

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency. Unique to antibodies, designing the complementarity-determining region (CDR), which determines the antigen binding affinity and specificity, creates its own unique challenges. Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance, particularly lacking diversity in the generated sequences. In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data - where it may be difficult to train a high-performing model from scratch or effectively fine-tune an existing pre-trained model on the specific task. Specifically, we introduce ReprogBert in which a pretrained English language model is repurposed for protein sequence infilling - thus considers cross-language adaptation using less data. Results on antibody design benchmarks show that our model on low-resourced antibody sequence dataset provides highly diverse CDR sequences, up to more than a two-fold increase of diversity over the baselines, without losing structural integrity and naturalness. The generated sequences also demonstrate enhanced antigen binding specificity and virus neutralization ability. Code is available at https://github.com/IBM/ReprogBERT

This report introduces an enhanced method for the Foundational Few-Shot Object Detection (FSOD) task, leveraging the vision-language model (VLM) for object detection. However, on specific datasets, VLM may encounter the problem where the detected targets are misaligned with the target concepts of interest. This misalignment hinders the zero-shot performance of VLM and the application of fine-tuning methods based on pseudo-labels. To address this issue, we propose the VLM+ framework, which integrates the multimodal large language model (MM-LLM). Specifically, we use MM-LLM to generate a series of referential expressions for each category. Based on the VLM predictions and the given annotations, we select the best referential expression for each category by matching the maximum IoU. Subsequently, we use these referential expressions to generate pseudo-labels for all images in the training set and then combine them with the original labeled data to fine-tune the VLM. Additionally, we employ iterative pseudo-label generation and optimization to further enhance the performance of the VLM. Our approach achieve 32.56 mAP in the final test.

Recent advancements in the text-to-3D task leverage finetuned text-to-image diffusion models to generate multi-view images, followed by NeRF reconstruction. Yet, existing supervised finetuned (SFT) diffusion models still suffer from multi-view inconsistency and the resulting NeRF artifacts. Although training longer with SFT improves consistency, it also causes distribution shift, which reduces diversity and realistic details. We argue that the SFT of multi-view diffusion models resembles the instruction finetuning stage of the LLM alignment pipeline and can benefit from RL finetuning (RLFT) methods. Essentially, RLFT methods optimize models beyond their SFT data distribution by using their own outputs, effectively mitigating distribution shift. To this end, we introduce Carve3D, a RLFT method coupled with the Multi-view Reconstruction Consistency (MRC) metric, to improve the consistency of multi-view diffusion models. To compute MRC on a set of multi-view images, we compare them with their corresponding renderings of the reconstructed NeRF at the same viewpoints. We validate the robustness of MRC with extensive experiments conducted under controlled inconsistency levels. We enhance the base RLFT algorithm to stabilize the training process, reduce distribution shift, and identify scaling laws. Through qualitative and quantitative experiments, along with a user study, we demonstrate Carve3D's improved multi-view consistency, the resulting superior NeRF reconstruction quality, and minimal distribution shift compared to longer SFT. Project webpage: https://desaixie.github.io/carve-3d.

We consider a contrastive learning approach to knowledge graph embedding (KGE) via InfoNCE. For KGE, efficient learning relies on augmenting the training data with negative triples. However, most KGE works overlook the bias from generating the negative triples-false negative triples (factual triples missing from the knowledge graph). We argue that the generation of high-quality (i.e., hard) negative triples might lead to an increase in false negative triples. To mitigate the impact of false negative triples during the generation of hard negative triples, we propose the Hardness and Structure-aware (HaSa) contrastive KGE method, which alleviates the effect of false negative triples while generating the hard negative triples. Experiments show that HaSa improves the performance of InfoNCE-based KGE approaches and achieves state-of-the-art results in several metrics for WN18RR datasets and competitive results for FB15k-237 datasets compared to both classic and pre-trained LM-based KGE methods.

The advent of 3D Gaussian Splatting (3DGS) has advanced 3D scene reconstruction and novel view synthesis. With the growing interest of interactive applications that need immediate feedback, online 3DGS reconstruction in real-time is in high demand. However, none of existing methods yet meet the demand due to three main challenges: the absence of predetermined camera parameters, the need for generalizable 3DGS optimization, and the necessity of reducing redundancy. We propose StreamGS, an online generalizable 3DGS reconstruction method for unposed image streams, which progressively transform image streams to 3D Gaussian streams by predicting and aggregating per-frame Gaussians. Our method overcomes the limitation of the initial point reconstruction dust3r in tackling out-of-domain (OOD) issues by introducing a content adaptive refinement. The refinement enhances cross-frame consistency by establishing reliable pixel correspondences between adjacent frames. Such correspondences further aid in merging redundant Gaussians through cross-frame feature aggregation. The density of Gaussians is thereby reduced, empowering online reconstruction by significantly lowering computational and memory costs. Extensive experiments on diverse datasets have demonstrated that StreamGS achieves quality on par with optimization-based approaches but does so 150 times faster, and exhibits superior generalizability in handling OOD scenes.

We present 3DRegNet, a novel deep learning architecture for the registration of 3D scans. Given a set of 3D point correspondences, we build a deep neural network to address the following two challenges: (i) classification of the point correspondences into inliers/outliers, and (ii) regression of the motion parameters that align the scans into a common reference frame. With regard to regression, we present two alternative approaches: (i) a Deep Neural Network (DNN) registration and (ii) a Procrustes approach using SVD to estimate the transformation. Our correspondence-based approach achieves a higher speedup compared to competing baselines. We further propose the use of a refinement network, which consists of a smaller 3DRegNet as a refinement to improve the accuracy of the registration. Extensive experiments on two challenging datasets demonstrate that we outperform other methods and achieve state-of-the-art results. The code is available.

Despite the availability of large-scale 3D datasets and advancements in 3D generative models, the complexity and uneven quality of 3D geometry and texture data continue to hinder the performance of 3D generation techniques. In most existing approaches, 3D geometry and texture are generated in separate stages using different models and non-unified representations, frequently leading to unsatisfactory coherence between geometry and texture. To address these challenges, we propose a novel framework for joint generation of 3D geometry and texture. Specifically, we focus in generate a versatile 2.5D representations that can be seamlessly transformed between 2D and 3D. Our approach begins by integrating multiview RGB, normal, and coordinate images into a unified representation, termed as 2.5D latents. Next, we adapt pre-trained 2D foundation models for high-fidelity 2.5D generation, utilizing both text and image conditions. Finally, we introduce a lightweight 2.5D-to-3D refiner-decoder framework that efficiently generates detailed 3D representations from 2.5D images. Extensive experiments demonstrate that our model not only excels in generating high-quality 3D objects with coherent structure and color from text and image inputs but also significantly outperforms existing methods in geometry-conditioned texture generation.

Vision-language models (VLMs), e.g., CLIP, have shown remarkable potential in zero-shot image classification. However, adapting these models to new domains remains challenging, especially in unsupervised settings where labelled data is unavailable. Recent research has proposed pseudo-labelling approaches to adapt CLIP in an unsupervised manner using unlabelled target data. Nonetheless, these methods struggle due to noisy pseudo-labels resulting from the misalignment between CLIP's visual and textual representations. This study introduces DPA, an unsupervised domain adaptation method for VLMs. DPA introduces the concept of dual prototypes, acting as distinct classifiers, along with the convex combination of their outputs, thereby leading to accurate pseudo-label construction. Next, it ranks pseudo-labels to facilitate robust self-training, particularly during early training. Finally, it addresses visual-textual misalignment by aligning textual prototypes with image prototypes to further improve the adaptation performance. Experiments on 13 downstream vision tasks demonstrate that DPA significantly outperforms zero-shot CLIP and the state-of-the-art unsupervised adaptation baselines.

Despite recent progress in 3D-LLMs, they remain limited in accurately grounding language to visual and spatial elements in 3D environments. This limitation stems in part from training data that focuses on language reasoning rather than spatial understanding due to scarce 3D resources, leaving inherent grounding biases unresolved. To address this, we propose 3D scene editing as a key mechanism to generate precise visual counterfactuals that mitigate these biases through fine-grained spatial manipulation, without requiring costly scene reconstruction or large-scale 3D data collection. Furthermore, to make these edits targeted and directly address the specific weaknesses of the model, we introduce DEER-3D, an error-driven framework following a structured "Decompose, Diagnostic Evaluation, Edit, and Re-train" workflow, rather than broadly or randomly augmenting data as in conventional approaches. Specifically, upon identifying a grounding failure of the 3D-LLM, our framework first diagnoses the exact predicate-level error (e.g., attribute or spatial relation). It then executes minimal, predicate-aligned 3D scene edits, such as recoloring or repositioning, to produce targeted counterfactual supervision for iterative model fine-tuning, significantly enhancing grounding accuracy. We evaluate our editing pipeline across multiple benchmarks for 3D grounding and scene understanding tasks, consistently demonstrating improvements across all evaluated datasets through iterative refinement. DEER-3D underscores the effectiveness of targeted, error-driven scene editing in bridging linguistic reasoning capabilities with spatial grounding in 3D LLMs.