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Jul 15

Volume Rendering of Neural Implicit Surfaces

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction. The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering. Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.

  • 4 authors
·
Jun 22, 2021

Vista: A Generalizable Driving World Model with High Fidelity and Versatile Controllability

World models can foresee the outcomes of different actions, which is of paramount importance for autonomous driving. Nevertheless, existing driving world models still have limitations in generalization to unseen environments, prediction fidelity of critical details, and action controllability for flexible application. In this paper, we present Vista, a generalizable driving world model with high fidelity and versatile controllability. Based on a systematic diagnosis of existing methods, we introduce several key ingredients to address these limitations. To accurately predict real-world dynamics at high resolution, we propose two novel losses to promote the learning of moving instances and structural information. We also devise an effective latent replacement approach to inject historical frames as priors for coherent long-horizon rollouts. For action controllability, we incorporate a versatile set of controls from high-level intentions (command, goal point) to low-level maneuvers (trajectory, angle, and speed) through an efficient learning strategy. After large-scale training, the capabilities of Vista can seamlessly generalize to different scenarios. Extensive experiments on multiple datasets show that Vista outperforms the most advanced general-purpose video generator in over 70% of comparisons and surpasses the best-performing driving world model by 55% in FID and 27% in FVD. Moreover, for the first time, we utilize the capacity of Vista itself to establish a generalizable reward for real-world action evaluation without accessing the ground truth actions.

  • 8 authors
·
May 27, 2024 1

Differentiable Blocks World: Qualitative 3D Decomposition by Rendering Primitives

Given a set of calibrated images of a scene, we present an approach that produces a simple, compact, and actionable 3D world representation by means of 3D primitives. While many approaches focus on recovering high-fidelity 3D scenes, we focus on parsing a scene into mid-level 3D representations made of a small set of textured primitives. Such representations are interpretable, easy to manipulate and suited for physics-based simulations. Moreover, unlike existing primitive decomposition methods that rely on 3D input data, our approach operates directly on images through differentiable rendering. Specifically, we model primitives as textured superquadric meshes and optimize their parameters from scratch with an image rendering loss. We highlight the importance of modeling transparency for each primitive, which is critical for optimization and also enables handling varying numbers of primitives. We show that the resulting textured primitives faithfully reconstruct the input images and accurately model the visible 3D points, while providing amodal shape completions of unseen object regions. We compare our approach to the state of the art on diverse scenes from DTU, and demonstrate its robustness on real-life captures from BlendedMVS and Nerfstudio. We also showcase how our results can be used to effortlessly edit a scene or perform physical simulations. Code and video results are available at https://www.tmonnier.com/DBW .

  • 5 authors
·
Jul 11, 2023

TabStruct: Measuring Structural Fidelity of Tabular Data

Evaluating tabular generators remains a challenging problem, as the unique causal structural prior of heterogeneous tabular data does not lend itself to intuitive human inspection. Recent work has introduced structural fidelity as a tabular-specific evaluation dimension to assess whether synthetic data complies with the causal structures of real data. However, existing benchmarks often neglect the interplay between structural fidelity and conventional evaluation dimensions, thus failing to provide a holistic understanding of model performance. Moreover, they are typically limited to toy datasets, as quantifying existing structural fidelity metrics requires access to ground-truth causal structures, which are rarely available for real-world datasets. In this paper, we propose a novel evaluation framework that jointly considers structural fidelity and conventional evaluation dimensions. We introduce a new evaluation metric, global utility, which enables the assessment of structural fidelity even in the absence of ground-truth causal structures. In addition, we present TabStruct, a comprehensive evaluation benchmark offering large-scale quantitative analysis on 13 tabular generators from nine distinct categories, across 29 datasets. Our results demonstrate that global utility provides a task-independent, domain-agnostic lens for tabular generator performance. We release the TabStruct benchmark suite, including all datasets, evaluation pipelines, and raw results. Code is available at https://github.com/SilenceX12138/TabStruct.

  • 3 authors
·
Sep 15, 2025 1

Exploring Geometry of Blind Spots in Vision Models

Despite the remarkable success of deep neural networks in a myriad of settings, several works have demonstrated their overwhelming sensitivity to near-imperceptible perturbations, known as adversarial attacks. On the other hand, prior works have also observed that deep networks can be under-sensitive, wherein large-magnitude perturbations in input space do not induce appreciable changes to network activations. In this work, we study in detail the phenomenon of under-sensitivity in vision models such as CNNs and Transformers, and present techniques to study the geometry and extent of "equi-confidence" level sets of such networks. We propose a Level Set Traversal algorithm that iteratively explores regions of high confidence with respect to the input space using orthogonal components of the local gradients. Given a source image, we use this algorithm to identify inputs that lie in the same equi-confidence level set as the source image despite being perceptually similar to arbitrary images from other classes. We further observe that the source image is linearly connected by a high-confidence path to these inputs, uncovering a star-like structure for level sets of deep networks. Furthermore, we attempt to identify and estimate the extent of these connected higher-dimensional regions over which the model maintains a high degree of confidence. The code for this project is publicly available at https://github.com/SriramB-98/blindspots-neurips-sub

  • 4 authors
·
Oct 30, 2023

Experimental Implementation of the Quantum Volunteer's Dilemma on NISQ Hardware: Noise Analysis and Digital-Twin Validation

We present an experimental implementation of the multiplayer Quantum Volunteer's Dilemma on noisy intermediate-scale quantum (NISQ) hardware, executed on the ibm_kingston backend via Qiskit Runtime. The game is evaluated for N = 2 to 9 players under four transpiler optimization levels, with 20 independent repetitions per configuration and 2048 shots per circuit, including post-processing readout error correction via mthree. Target-state fidelity decays with system size but remains above 70% (corrected) through N = 9. With readout correction, the global average payoff reproduces the quantum theoretical benchmark exactly for N <= 6 and exceeds the classical Nash equilibrium across the full tested range. Optimization level 2 is selected as the reference configuration after gate count analysis reveals that levels 2 and 3 produce identical transpiled circuits, with level 2 achieving superior fidelity stability. A Hamming distance analysis of raw measurement counts shows that single-qubit errors dominate at small N, with multi-qubit contributions growing beyond N = 6. A calibration-based digital twin captures global payoff trends but exhibits a linear fidelity decay profile that diverges from the hardware behavior at large N, exposing the limits of first-order independent per-qubit noise models. These results demonstrate that aggregate quantum advantage in multiplayer games is robust to NISQ noise conditions across the full tested range, while the practical observability of state-level advantage is constrained to N <= 8 under post-processed readout correction.

  • 7 authors
·
May 28

ModHiFi: Identifying High Fidelity predictive components for Model Modification

Open weight models, which are ubiquitous, rarely provide access to their training data or loss function. This makes modifying such models for tasks such as pruning or unlearning constrained by this unavailability an active area of research. Existing techniques typically require gradients or ground-truth labels, rendering them infeasible in settings with limited computational resources. In this work, we investigate the fundamental question of identifying components that are critical to the model's predictive performance, without access to either gradients or the loss function, and with only distributional access such as synthetic data. We theoretically demonstrate that the global reconstruction error is linearly bounded by local reconstruction errors for Lipschitz-continuous networks such as CNNs and well-trained Transformers (which, contrary to existing literature, we find exhibit Lipschitz continuity). This motivates using the locally reconstructive behavior of component subsets to quantify their global importance, via a metric that we term Subset Fidelity. In the uncorrelated features setting, selecting individual components via their Subset Fidelity scores is optimal, which we use to propose ModHiFi, an algorithm for model modification that requires no training data or loss function access. ModHiFi-P, for structured pruning, achieves an 11% speedup over the current state of the art on ImageNet models and competitive performance on language models. ModHiFi-U, for classwise unlearning, achieves complete unlearning on CIFAR-10 without fine-tuning and demonstrates competitive performance on Swin Transformers.

Synthetic Tabular Generators Fail to Preserve Behavioral Fraud Patterns: A Benchmark on Temporal, Velocity, and Multi-Account Signals

We introduce behavioral fidelity -- a third evaluation dimension for synthetic tabular data that measures whether generated data preserves the temporal, sequential, and structural behavioral patterns that distinguish real-world entity activity. Existing frameworks evaluate statistical fidelity (marginal distributions and correlations) and downstream utility (classifier AUROC on synthetic-trained models), but neither tests for the behavioral signals that operational detection and analysis systems actually rely on. We formalize a taxonomy of four behavioral fraud patterns (P1-P4) covering inter-event timing, burst structure, multi-account graph motifs, and velocity-rule trigger rates; define a degradation ratio metric calibrated to a real-data noise floor (1.0 = matches real variability, k = k-times worse); and prove that row-independent generators -- the dominant paradigm -- are structurally incapable of reproducing P3 graph motifs (Proposition 1) and produce non-positive within-entity IET autocorrelation (Proposition 2), making the positive burst fingerprint of fraud sequences unachievable regardless of architecture or training data size. We benchmark CTGAN, TVAE, GaussianCopula, and TabularARGN on IEEE-CIS Fraud Detection and the Amazon Fraud Dataset. All four fail severely: on IEEE-CIS composite degradation ratios range from 24.4x (TVAE) to 39.0x (GaussianCopula); on Amazon FDB, row-independent generators score 81.6-99.7x, while TabularARGN achieves 17.2x. We document generator-specific failure modes and their resolutions. The P1-P4 framework extends to any domain with entity-level sequential tabular data, including healthcare and network security. We release our evaluation framework as open source.

  • 1 authors
·
Apr 12

Efficient, Property-Aligned Fan-Out Retrieval via RL-Compiled Diffusion

Many modern retrieval problems are set-valued: given a broad intent, the system must return a collection of results that optimizes higher-order properties (e.g., diversity, coverage, complementarity, coherence) while remaining grounded with respect to a fixed database. Set-valued objectives are typically non-decomposable and are not captured by existing supervised (query, content) datasets which only prioritize top-1 retrieval. Consequently, fan-out retrieval is often employed to generate diverse subqueries to retrieve item sets. While reinforcement learning (RL) can optimize set-level objectives via interaction, deploying an RL-tuned LLM for fan-out retrieval is prohibitively expensive at inference time. Conversely, diffusion-based generative retrieval enables efficient single-pass fan-out in embedding space, but requires objective-aligned training targets. To address these issues, we propose R4T (Retrieve-for-Train), which uses RL once as an objective transducer in a three-step process: (i) train a fan-out LLM with composite set-level rewards, (ii) synthesize objective-consistent training pairs, and (iii) train a lightweight diffusion retriever to model the conditional distribution of set-valued outputs. Across large-scale fashion and music benchmarks consisting of curated item sets, we show that R4T improves retrieval quality relative to strong baselines while reducing query-time fan-out latency by an order of magnitude.

  • 11 authors
·
Mar 5

Pixal3D: Pixel-Aligned 3D Generation from Images

Recent advances in 3D generative models have rapidly improved image-to-3D synthesis quality, enabling higher-resolution geometry and more realistic appearance. Yet fidelity, which measures pixel-level faithfulness of the generated 3D asset to the input image, still remains a central bottleneck. We argue this stems from an implicit 2D-3D correspondence issue: most 3D-native generators synthesize shape in canonical space and inject image cues via attention, leaving pixel-to-3D associations ambiguous. To tackle this issue, we draw inspiration from 3D reconstruction and propose Pixal3D, a pixel-aligned 3D generation paradigm for high-fidelity 3D asset creation from images. Instead of generating in a canonical pose, Pixal3D directly generates 3D in a pixel-aligned way, consistent with the input view. To enable this, we introduce a pixel back-projection conditioning scheme that explicitly lifts multi-scale image features into a 3D feature volume, establishing direct pixel-to-3D correspondence without ambiguity. We show that Pixal3D is not only scalable and capable of producing high-quality 3D assets, but also substantially improves fidelity, approaching the fidelity level of reconstruction. Furthermore, Pixal3D naturally extends to multi-view generation by aggregating back-projected feature volumes across views. Finally, we show pixel-aligned generation benefits scene synthesis, and present a modular pipeline that produces high-fidelity, object-separated 3D scenes from images. Pixal3D for the first time demonstrates 3D-native pixel-aligned generation at scale, and provides a new inspiring way towards high-fidelity 3D generation of object or scene from single or multi-view images. Project page: https://ldyang694.github.io/projects/pixal3d/

A Gentle Introduction to Conformal Prediction and Distribution-Free Uncertainty Quantification

Black-box machine learning models are now routinely used in high-risk settings, like medical diagnostics, which demand uncertainty quantification to avoid consequential model failures. Conformal prediction is a user-friendly paradigm for creating statistically rigorous uncertainty sets/intervals for the predictions of such models. Critically, the sets are valid in a distribution-free sense: they possess explicit, non-asymptotic guarantees even without distributional assumptions or model assumptions. One can use conformal prediction with any pre-trained model, such as a neural network, to produce sets that are guaranteed to contain the ground truth with a user-specified probability, such as 90%. It is easy-to-understand, easy-to-use, and general, applying naturally to problems arising in the fields of computer vision, natural language processing, deep reinforcement learning, and so on. This hands-on introduction is aimed to provide the reader a working understanding of conformal prediction and related distribution-free uncertainty quantification techniques with one self-contained document. We lead the reader through practical theory for and examples of conformal prediction and describe its extensions to complex machine learning tasks involving structured outputs, distribution shift, time-series, outliers, models that abstain, and more. Throughout, there are many explanatory illustrations, examples, and code samples in Python. With each code sample comes a Jupyter notebook implementing the method on a real-data example; the notebooks can be accessed and easily run using our codebase.

  • 2 authors
·
Dec 6, 2022

Describing Differences in Image Sets with Natural Language

How do two sets of images differ? Discerning set-level differences is crucial for understanding model behaviors and analyzing datasets, yet manually sifting through thousands of images is impractical. To aid in this discovery process, we explore the task of automatically describing the differences between two sets of images, which we term Set Difference Captioning. This task takes in image sets D_A and D_B, and outputs a description that is more often true on D_A than D_B. We outline a two-stage approach that first proposes candidate difference descriptions from image sets and then re-ranks the candidates by checking how well they can differentiate the two sets. We introduce VisDiff, which first captions the images and prompts a language model to propose candidate descriptions, then re-ranks these descriptions using CLIP. To evaluate VisDiff, we collect VisDiffBench, a dataset with 187 paired image sets with ground truth difference descriptions. We apply VisDiff to various domains, such as comparing datasets (e.g., ImageNet vs. ImageNetV2), comparing classification models (e.g., zero-shot CLIP vs. supervised ResNet), summarizing model failure modes (supervised ResNet), characterizing differences between generative models (e.g., StableDiffusionV1 and V2), and discovering what makes images memorable. Using VisDiff, we are able to find interesting and previously unknown differences in datasets and models, demonstrating its utility in revealing nuanced insights.

  • 8 authors
·
Dec 5, 2023

SDR: Set-Distance Rewards for Radiology Report Generation

Reinforcement learning with verifiable rewards has rapidly advanced reasoning in vision--language models. However, for chest X-ray report generation, the standard rewards (i.e. exact-match accuracy and step-level processes) are incompatible because the reports consist of unordered and orthogonal findings, rather than a causal reasoning chain. We address this gap with a set-based view: each report is split into sentences and embedded by a frozen sentence transformer, yielding unordered embedding sets. We propose the use of set-to-set distances between generated and reference embeddings as continuous, permutation-invariant rewards. Across two datasets and three vision--language models (Qwen3-VL-2B/4B, Gemma3-4B), post-training with set-to-set distance based rewards via GRPO consistently outperforms supervised fine-tuning and exact-match GRPO on all headline metrics (BERTScore, RadGraph F1 and CheXbert F1 by average \%6.80, \%7.82 and \%4.45 relative improvements respectively). The same set distances also enable test-time best-of-N selection: scoring candidates by their distance to training-report embeddings outperforms random selection on our trained models as well as three closed-source LLMs (Mistral-Small, Gemini-2.5 Flash-Lite, GPT-4o-mini) with on average \%16.4 relative improvement on BERTScore. Used as a streaming signal, they support a more efficient form of test-time scaling: pruning low-scoring candidates mid-generation reduces generated tokens by over 50\% while preserving the Findings quality of full best-of-N selection. Together these results establish set-distance rewards as a unified signal for both post-training and test-time scaling in chest X-ray report generation. Our code is publicly https://anonymous.4open.science/r/Set-Distance-Rewards-CXR-BFDA{available}.

gevaertlab Gevaert Lab
·
May 29 2

Diffeomorphic Mesh Deformation via Efficient Optimal Transport for Cortical Surface Reconstruction

Mesh deformation plays a pivotal role in many 3D vision tasks including dynamic simulations, rendering, and reconstruction. However, defining an efficient discrepancy between predicted and target meshes remains an open problem. A prevalent approach in current deep learning is the set-based approach which measures the discrepancy between two surfaces by comparing two randomly sampled point-clouds from the two meshes with Chamfer pseudo-distance. Nevertheless, the set-based approach still has limitations such as lacking a theoretical guarantee for choosing the number of points in sampled point-clouds, and the pseudo-metricity and the quadratic complexity of the Chamfer divergence. To address these issues, we propose a novel metric for learning mesh deformation. The metric is defined by sliced Wasserstein distance on meshes represented as probability measures that generalize the set-based approach. By leveraging probability measure space, we gain flexibility in encoding meshes using diverse forms of probability measures, such as continuous, empirical, and discrete measures via varifold representation. After having encoded probability measures, we can compare meshes by using the sliced Wasserstein distance which is an effective optimal transport distance with linear computational complexity and can provide a fast statistical rate for approximating the surface of meshes. To the end, we employ a neural ordinary differential equation (ODE) to deform the input surface into the target shape by modeling the trajectories of the points on the surface. Our experiments on cortical surface reconstruction demonstrate that our approach surpasses other competing methods in multiple datasets and metrics.

  • 6 authors
·
May 27, 2023

Set2Seq Transformer: Temporal and Position-Aware Set Representations for Sequential Multiple-Instance Learning

In many real-world applications, modeling both the internal structure of sets and their temporal relationships is essential for capturing complex underlying patterns. Sequential multiple-instance learning aims to address this challenge by learning permutation-invariant representations of sets distributed across discrete timesteps. However, existing methods either focus on learning set representations at a static level, ignoring temporal dynamics, or treat sequences as ordered lists of individual elements, lacking explicit mechanisms for representing sets. Crucially, effective modeling of such sequences of sets often requires encoding both the positional ordering across timesteps and their absolute temporal values to jointly capture relative progression and temporal context. In this work, we propose Set2Seq Transformer, a novel architecture that jointly models permutation-invariant set structure and temporal dependencies by learning temporal and position-aware representations of sets within a sequence in an end-to-end multimodal manner. We evaluate our Set2Seq Transformer on two tasks that require modeling set structure alongside temporal and positional patterns, but differ significantly in domain, modality, and objective. First, we consider a fine art analysis task, modeling artists' oeuvres for predicting artistic success using a novel dataset, WikiArt-Seq2Rank. Second, we utilize our Set2Seq Transformer for short-term wildfire danger forecasting. Through extensive experimentation, we show that our Set2Seq Transformer consistently improves over traditional static multiple-instance learning methods by effectively learning permutation-invariant set, temporal, and position-aware representations across diverse domains, modalities, and tasks. We release all code and datasets at https://github.com/thefth/set2seq-transformer.

  • 5 authors
·
Aug 6, 2024

Enhancing Neural Subset Selection: Integrating Background Information into Set Representations

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

  • 8 authors
·
Feb 5, 2024

The Last Word Often Wins: A Format Confound in Chain-of-Thought Corruption Studies

Corruption studies, the primary tool for evaluating chain-of-thought (CoT) faithfulness, identify which chain positions are "computationally important" by measuring accuracy when steps are replaced with errors. We identify a systematic confound: for chains with explicit terminal answer statements, the dominant format in standard benchmarks, corruption studies detect where the answer text appears, not where computation occurs. A within-dataset format ablation provides the key evidence: on standard GSM8K chains ending with "the answer is X," removing only the answer statement, preserving all reasoning, collapses suffix sensitivity ~19x at 3B (N=300, p=0.022). Conflicting-answer experiments quantify the causal mechanism: at 7B, CC accuracy drops to near-zero (<=0.02) across five architecture families; the followed-wrong rate spans 0.63-1.00 at 3B-7B and attenuates at larger scales (0.300 at Phi-4-14B, ~0.01 at 32B). A within-stable 7B replication (9.3x attenuation, N=76, p=7.8e-3; Qwen3-8B N=299, p=0.004) provides converging evidence, and the pattern replicates on MATH (DeepSeek-R1-7B: 10.9x suffix-survival recovery). On chains without answer suffixes the same protocol identifies the prefix as load-bearing (Delta=-0.77, p<10^-12). Generation-time probes confirm a dissociation: the answer is not early-determined during generation (early commitment <5%), yet at consumption time model outputs systematically follow the explicit answer text. The format-determination effect persists through 14B (8.5x ratio, p=0.001) and converges toward zero at 32B. We propose a three-prerequisite protocol (question-only control, format characterization, all-position sweep) as a minimum standard for corruption-based faithfulness studies.

  • 1 authors
·
May 10

Learning a More Continuous Zero Level Set in Unsigned Distance Fields through Level Set Projection

Latest methods represent shapes with open surfaces using unsigned distance functions (UDFs). They train neural networks to learn UDFs and reconstruct surfaces with the gradients around the zero level set of the UDF. However, the differential networks struggle from learning the zero level set where the UDF is not differentiable, which leads to large errors on unsigned distances and gradients around the zero level set, resulting in highly fragmented and discontinuous surfaces. To resolve this problem, we propose to learn a more continuous zero level set in UDFs with level set projections. Our insight is to guide the learning of zero level set using the rest non-zero level sets via a projection procedure. Our idea is inspired from the observations that the non-zero level sets are much smoother and more continuous than the zero level set. We pull the non-zero level sets onto the zero level set with gradient constraints which align gradients over different level sets and correct unsigned distance errors on the zero level set, leading to a smoother and more continuous unsigned distance field. We conduct comprehensive experiments in surface reconstruction for point clouds, real scans or depth maps, and further explore the performance in unsupervised point cloud upsampling and unsupervised point normal estimation with the learned UDF, which demonstrate our non-trivial improvements over the state-of-the-art methods. Code is available at https://github.com/junshengzhou/LevelSetUDF .

  • 5 authors
·
Aug 22, 2023

Enhancing Instance-Level Image Classification with Set-Level Labels

Instance-level image classification tasks have traditionally relied on single-instance labels to train models, e.g., few-shot learning and transfer learning. However, set-level coarse-grained labels that capture relationships among instances can provide richer information in real-world scenarios. In this paper, we present a novel approach to enhance instance-level image classification by leveraging set-level labels. We provide a theoretical analysis of the proposed method, including recognition conditions for fast excess risk rate, shedding light on the theoretical foundations of our approach. We conducted experiments on two distinct categories of datasets: natural image datasets and histopathology image datasets. Our experimental results demonstrate the effectiveness of our approach, showcasing improved classification performance compared to traditional single-instance label-based methods. Notably, our algorithm achieves 13% improvement in classification accuracy compared to the strongest baseline on the histopathology image classification benchmarks. Importantly, our experimental findings align with the theoretical analysis, reinforcing the robustness and reliability of our proposed method. This work bridges the gap between instance-level and set-level image classification, offering a promising avenue for advancing the capabilities of image classification models with set-level coarse-grained labels.

  • 4 authors
·
Nov 8, 2023

Declarative Outcome-Conformant Synthesis: Exact, Closed-Form Specification Satisfaction and a Conformance Benchmark

We study a capability the dominant paradigm in synthetic tabular data does not provide: exact satisfaction of a declared analytical outcome with no source data. Imitation methods (copulas, GANs, diffusion) learn a real distribution and sample from it, and are judged on fidelity to real data. A large, practical class of needs is different: generating data with no source data ("cold start") that reproduces a declared outcome (a revenue curve, a churn rate, a group share) across a relational schema. Off-the-shelf imitation tools offer no interface for such targets, and no sampler can hit an exact aggregate, because sampling has variance. On a real public dataset, off-the-shelf learned synthesizers trained on that very data miss the declared monthly aggregate by 74 to 86 percent; a per-period steelman cuts the miss to about 19 percent and still cannot reach 0; a closed-form generator reaches exactly 0. We name this task outcome-conformant synthesis, argue its evaluation axis is conformance rather than fidelity, and show the two axes are orthogonal. We contribute: (1) a formal account showing a widely-used family of exact-aggregate generators is exactly conditional-sum sampling of a Gamma population (via Lukacs' characterization), with closed-form exactness, a closed-form marginal CV, and scale-invariance; a controlled experiment maps the boundary, enforcing the exact aggregate costs at most 0.006 in 1-Wasserstein distance to an arbitrary external marginal, the rest being shape-family mismatch; (2) SpecBench, to our knowledge the first benchmark to measure conformance to analytical outcomes for cold-start relational synthesis; and (3) a closed-form, deterministic reference system. Exact aggregation alone is trivial; the contribution is conformance jointly with closed-form marginals, integrity, determinism, and zero source data. We concede fidelity to imitation where real data exists.

  • 1 authors
·
Jun 6

SetCon: Towards Open-Ended Referring Segmentation via Set-Level Concept Prediction

Referring segmentation grounds natural-language queries to pixel-level masks, but extending it to complex scenarios with multiple instances, cross-category groups, or open-ended target sets remains challenging. Previous Large Vision Language Model (LVLM)-based methods represent referred targets with one or more special tokens sequentially, treating multiple targets as separate outputs rather than a coherent set and offering little incentive to capture set-level properties such as completeness and mutual exclusivity. We reformulate open-ended referring segmentation as explicit set-level concept prediction and propose Set-Concept Segmentation (SetCon), which uses LVLM-generated natural-language concepts, instead of segmentation-specific tokens, as semantic conditions for joint mask-set decoding. A hierarchical semantic decomposition first predicts a shared set-level concept defining the target scope and then refines it into fine-grained concept groups aligned with target subsets. To support this, a two-stage annotation pipeline augments existing reasoning segmentation datasets with hierarchical semantic supervision (236k samples, 784k concept phrases). SetCon achieves state-of-the-art results on image benchmarks (+3.3 gIoU on gRefCOCO, +12.1 gIoU on MUSE), with margins that grow as the number of referred targets increases. The concept interface also transfers to video under a detect-and-track setting, yielding new state-of-the-art results on seven referring video benchmarks, including +10.9 J&F on MeViS and +12.4 J&F on Ref-SeCVOS.

  • 9 authors
·
May 18

Hallucination Score: Towards Mitigating Hallucinations in Generative Image Super-Resolution

Generative super-resolution (GSR) currently sets the state-of-the-art in terms of perceptual image quality, overcoming the "regression-to-the-mean" blur of prior non-generative models. However, from a human perspective, such models do not fully conform to the optimal balance between quality and fidelity. Instead, a different class of artifacts, in which generated details fail to perceptually match the low resolution image (LRI) or ground-truth image (GTI), is a critical but under studied issue in GSR, limiting its practical deployments. In this work, we focus on measuring, analyzing, and mitigating these artifacts (i.e., "hallucinations"). We observe that hallucinations are not well-characterized with existing image metrics or quality models, as they are orthogonal to both exact fidelity and no-reference quality. Instead, we take advantage of a multimodal large language model (MLLM) by constructing a prompt that assesses hallucinatory visual elements and generates a "Hallucination Score" (HS). We find that our HS is closely aligned with human evaluations, and also provides complementary insights to prior image metrics used for super-resolution (SR) models. In addition, we find certain deep feature distances have strong correlations with HS. We therefore propose to align the GSR models by using such features as differentiable reward functions to mitigate hallucinations.

  • 6 authors
·
Jul 18, 2025

Towards Robust Fidelity for Evaluating Explainability of Graph Neural Networks

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their expansive application in sensitive domains requires a comprehensive understanding of their decision-making processes -- necessitating a framework for GNN explainability. An explanation function for GNNs takes a pre-trained GNN along with a graph as input, to produce a `sufficient statistic' subgraph with respect to the graph label. A main challenge in studying GNN explainability is to provide fidelity measures that evaluate the performance of these explanation functions. This paper studies this foundational challenge, spotlighting the inherent limitations of prevailing fidelity metrics, including Fid_+, Fid_-, and Fid_Delta. Specifically, a formal, information-theoretic definition of explainability is introduced and it is shown that existing metrics often fail to align with this definition across various statistical scenarios. The reason is due to potential distribution shifts when subgraphs are removed in computing these fidelity measures. Subsequently, a robust class of fidelity measures are introduced, and it is shown analytically that they are resilient to distribution shift issues and are applicable in a wide range of scenarios. Extensive empirical analysis on both synthetic and real datasets are provided to illustrate that the proposed metrics are more coherent with gold standard metrics. The source code is available at https://trustai4s-lab.github.io/fidelity.

  • 8 authors
·
Oct 3, 2023

Standard vs. Modular Sampling: Best Practices for Reliable LLM Unlearning

A conventional LLM Unlearning setting consists of two subsets -"forget" and "retain", with the objectives of removing the undesired knowledge from the forget set while preserving the remaining knowledge from the retain. In privacy-focused unlearning research, a retain set is often further divided into neighbor sets, containing either directly or indirectly connected to the forget targets; and augmented by a general-knowledge set. A common practice in existing benchmarks is to employ only a single neighbor set, with general knowledge which fails to reflect the real-world data complexities and relationships. LLM Unlearning typically involves 1:1 sampling or cyclic iteration sampling. However, the efficacy and stability of these de facto standards have not been critically examined. In this study, we systematically evaluate these common practices. Our findings reveal that relying on a single neighbor set is suboptimal and that a standard sampling approach can obscure performance trade-offs. Based on this analysis, we propose and validate an initial set of best practices: (1) Incorporation of diverse neighbor sets to balance forget efficacy and model utility, (2) Standard 1:1 sampling methods are inefficient and yield poor results, (3) Our proposed Modular Entity-Level Unlearning (MELU) strategy as an alternative to cyclic sampling. We demonstrate that this modular approach, combined with robust algorithms, provides a clear and stable path towards effective unlearning.

  • 3 authors
·
Aug 28, 2025

PAC Prediction Sets for Large Language Models of Code

Prediction sets have recently been shown to be a promising strategy for quantifying the uncertainty of deep neural networks in a way that provides theoretical guarantees. However, existing techniques have largely targeted settings where the space of labels is simple, so prediction sets can be arbitrary subsets of labels. For structured prediction problems where the space of labels is exponential in size, even prediction sets containing a small fraction of all labels can be exponentially large. In the context of code generation, we propose a solution that considers a restricted set of prediction sets that can compactly be represented as partial programs, which are programs with portions replaced with holes. Given a trained code generation model, our algorithm leverages a programming language's abstract syntax tree to generate a set of programs such that the correct program is in the set with high-confidence. Valuable applications of our algorithm include a Codex-style code generator with holes in uncertain parts of the generated code, which provides a partial program with theoretical guarantees. We evaluate our approach on PICARD (a T5 model for SQL semantic parsing) and Codex (a GPT model for over a dozen programming languages, including Python), demonstrating that our approach generates compact PAC prediction sets. This is the first research contribution that generates PAC prediction sets for generative code models.

  • 3 authors
·
Feb 17, 2023

How Well Does Your Tabular Generator Learn the Structure of Tabular Data?

Heterogeneous tabular data poses unique challenges in generative modelling due to its fundamentally different underlying data structure compared to homogeneous modalities, such as images and text. Although previous research has sought to adapt the successes of generative modelling in homogeneous modalities to the tabular domain, defining an effective generator for tabular data remains an open problem. One major reason is that the evaluation criteria inherited from other modalities often fail to adequately assess whether tabular generative models effectively capture or utilise the unique structural information encoded in tabular data. In this paper, we carefully examine the limitations of the prevailing evaluation framework and introduce TabStruct, a novel evaluation benchmark that positions structural fidelity as a core evaluation dimension. Specifically, TabStruct evaluates the alignment of causal structures in real and synthetic data, providing a direct measure of how effectively tabular generative models learn the structure of tabular data. Through extensive experiments using generators from eight categories on seven datasets with expert-validated causal graphical structures, we show that structural fidelity offers a task-independent, domain-agnostic evaluation dimension. Our findings highlight the importance of tabular data structure and offer practical guidance for developing more effective and robust tabular generative models. Code is available at https://github.com/SilenceX12138/TabStruct.

  • 3 authors
·
Mar 12, 2025

Synthetic Dataset Evaluation Based on Generalized Cross Validation

With the rapid advancement of synthetic dataset generation techniques, evaluating the quality of synthetic data has become a critical research focus. Robust evaluation not only drives innovations in data generation methods but also guides researchers in optimizing the utilization of these synthetic resources. However, current evaluation studies for synthetic datasets remain limited, lacking a universally accepted standard framework. To address this, this paper proposes a novel evaluation framework integrating generalized cross-validation experiments and domain transfer learning principles, enabling generalizable and comparable assessments of synthetic dataset quality. The framework involves training task-specific models (e.g., YOLOv5s) on both synthetic datasets and multiple real-world benchmarks (e.g., KITTI, BDD100K), forming a cross-performance matrix. Following normalization, a Generalized Cross-Validation (GCV) Matrix is constructed to quantify domain transferability. The framework introduces two key metrics. One measures the simulation quality by quantifying the similarity between synthetic data and real-world datasets, while another evaluates the transfer quality by assessing the diversity and coverage of synthetic data across various real-world scenarios. Experimental validation on Virtual KITTI demonstrates the effectiveness of our proposed framework and metrics in assessing synthetic data fidelity. This scalable and quantifiable evaluation solution overcomes traditional limitations, providing a principled approach to guide synthetic dataset optimization in artificial intelligence research.

  • 6 authors
·
Sep 14, 2025

Decoupled Data Augmentation for Improving Image Classification

Recent advancements in image mixing and generative data augmentation have shown promise in enhancing image classification. However, these techniques face the challenge of balancing semantic fidelity with diversity. Specifically, image mixing involves interpolating two images to create a new one, but this pixel-level interpolation can compromise fidelity. Generative augmentation uses text-to-image generative models to synthesize or modify images, often limiting diversity to avoid generating out-of-distribution data that potentially affects accuracy. We propose that this fidelity-diversity dilemma partially stems from the whole-image paradigm of existing methods. Since an image comprises the class-dependent part (CDP) and the class-independent part (CIP), where each part has fundamentally different impacts on the image's fidelity, treating different parts uniformly can therefore be misleading. To address this fidelity-diversity dilemma, we introduce Decoupled Data Augmentation (De-DA), which resolves the dilemma by separating images into CDPs and CIPs and handling them adaptively. To maintain fidelity, we use generative models to modify real CDPs under controlled conditions, preserving semantic consistency. To enhance diversity, we replace the image's CIP with inter-class variants, creating diverse CDP-CIP combinations. Additionally, we implement an online randomized combination strategy during training to generate numerous distinct CDP-CIP combinations cost-effectively. Comprehensive empirical evaluations validate the effectiveness of our method.

  • 8 authors
·
Oct 29, 2024

Coarse-Guided Visual Generation via Weighted h-Transform Sampling

Coarse-guided visual generation, which synthesizes fine visual samples from degraded or low-fidelity coarse references, is essential for various real-world applications. While training-based approaches are effective, they are inherently limited by high training costs and restricted generalization due to paired data collection. Accordingly, recent training-free works propose to leverage pretrained diffusion models and incorporate guidance during the sampling process. However, these training-free methods either require knowing the forward (fine-to-coarse) transformation operator, e.g., bicubic downsampling, or are difficult to balance between guidance and synthetic quality. To address these challenges, we propose a novel guided method by using the h-transform, a tool that can constrain stochastic processes (e.g., sampling process) under desired conditions. Specifically, we modify the transition probability at each sampling timestep by adding to the original differential equation with a drift function, which approximately steers the generation toward the ideal fine sample. To address unavoidable approximation errors, we introduce a noise-level-aware schedule that gradually de-weights the term as the error increases, ensuring both guidance adherence and high-quality synthesis. Extensive experiments across diverse image and video generation tasks demonstrate the effectiveness and generalization of our method.

Improving Post Training Neural Quantization: Layer-wise Calibration and Integer Programming

Lately, post-training quantization methods have gained considerable attention, as they are simple to use, and require only a small unlabeled calibration set. This small dataset cannot be used to fine-tune the model without significant over-fitting. Instead, these methods only use the calibration set to set the activations' dynamic ranges. However, such methods always resulted in significant accuracy degradation, when used below 8-bits (except on small datasets). Here we aim to break the 8-bit barrier. To this end, we minimize the quantization errors of each layer separately by optimizing its parameters over the calibration set. We empirically demonstrate that this approach is: (1) much less susceptible to over-fitting than the standard fine-tuning approaches, and can be used even on a very small calibration set; and (2) more powerful than previous methods, which only set the activations' dynamic ranges. Furthermore, we demonstrate how to optimally allocate the bit-widths for each layer, while constraining accuracy degradation or model compression by proposing a novel integer programming formulation. Finally, we suggest model global statistics tuning, to correct biases introduced during quantization. Together, these methods yield state-of-the-art results for both vision and text models. For instance, on ResNet50, we obtain less than 1\% accuracy degradation --- with 4-bit weights and activations in all layers, but the smallest two. We open-sourced our code.

  • 5 authors
·
Jun 14, 2020

Taming Visually Guided Sound Generation

Recent advances in visually-induced audio generation are based on sampling short, low-fidelity, and one-class sounds. Moreover, sampling 1 second of audio from the state-of-the-art model takes minutes on a high-end GPU. In this work, we propose a single model capable of generating visually relevant, high-fidelity sounds prompted with a set of frames from open-domain videos in less time than it takes to play it on a single GPU. We train a transformer to sample a new spectrogram from the pre-trained spectrogram codebook given the set of video features. The codebook is obtained using a variant of VQGAN trained to produce a compact sampling space with a novel spectrogram-based perceptual loss. The generated spectrogram is transformed into a waveform using a window-based GAN that significantly speeds up generation. Considering the lack of metrics for automatic evaluation of generated spectrograms, we also build a family of metrics called FID and MKL. These metrics are based on a novel sound classifier, called Melception, and designed to evaluate the fidelity and relevance of open-domain samples. Both qualitative and quantitative studies are conducted on small- and large-scale datasets to evaluate the fidelity and relevance of generated samples. We also compare our model to the state-of-the-art and observe a substantial improvement in quality, size, and computation time. Code, demo, and samples: v-iashin.github.io/SpecVQGAN

  • 2 authors
·
Oct 17, 2021

iFairy: the First 2-bit Complex LLM with All Parameters in {pm1, pm i}

Quantization-Aware Training (QAT) integrates quantization into the training loop, enabling LLMs to learn robust low-bit representations, and is widely recognized as one of the most promising research directions. All current QAT research focuses on minimizing quantization error on full-precision models, where the full-precision accuracy acts as an upper bound (accuracy ceiling). No existing method has even attempted to surpass this ceiling. To break this ceiling, we propose a new paradigm: raising the ceiling (full-precision model), and then still quantizing it efficiently into 2 bits. We propose Fairypm i, the first 2-bit quantization framework for complex-valued LLMs. Specifically, our method leverages the representational advantages of the complex domain to boost full-precision accuracy. We map weights to the fourth roots of unity {pm1, pm i}, forming a perfectly symmetric and information-theoretically optimal 2-bit representation. Importantly, each quantized weight has either a zero real or imaginary part, enabling multiplication-free inference using only additions and element swaps. Experimental results show that Fairypm i outperforms the ceiling of existing 2-bit quantization approaches in terms of both PPL and downstream tasks, while maintaining strict storage and compute efficiency. This work opens a new direction for building highly accurate and practical LLMs under extremely low-bit constraints.

  • 10 authors
·
Aug 7, 2025

Approximate Quantum Compiling for Quantum Simulation: A Tensor Network based approach

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum many-body Hamiltonians. This tailored approach has two clear advantages over previous algorithms that were designed to map a generic MPS to a quantum circuit. First, we optimize all parameters of a parametric circuit at once using Approximate Quantum Compiling (AQC) - this is to be contrasted with other approaches based on locally optimizing a subset of circuit parameters and "sweeping" across the system. We introduce an optimization scheme to avoid the so-called ``orthogonality catastrophe" - i.e. the fact that the fidelity of two arbitrary quantum states decays exponentially with the number of qubits - that would otherwise render a global optimization of the circuit impractical. Second, the depth of our parametric circuit is constant in the number of qubits for a fixed simulation time and fixed error tolerance. This is to be contrasted with the linear circuit Ansatz used in generic algorithms whose depth scales linearly in the number of qubits. For simulation problems on 100 qubits, we show that AQCtensor thus achieves at least an order of magnitude reduction in the depth of the resulting optimized circuit, as compared with the best generic MPS to quantum circuit algorithms. We demonstrate our approach on simulation problems on Heisenberg-like Hamiltonians on up to 100 qubits and find optimized quantum circuits that have significantly reduced depth as compared to standard Trotterized circuits.

  • 4 authors
·
Jan 20, 2023

Scale Efficient Training for Large Datasets

The rapid growth of dataset scales has been a key driver in advancing deep learning research. However, as dataset scale increases, the training process becomes increasingly inefficient due to the presence of low-value samples, including excessive redundant samples, overly challenging samples, and inefficient easy samples that contribute little to model improvement.To address this challenge, we propose Scale Efficient Training (SeTa) for large datasets, a dynamic sample pruning approach that losslessly reduces training time. To remove low-value samples, SeTa first performs random pruning to eliminate redundant samples, then clusters the remaining samples according to their learning difficulty measured by loss. Building upon this clustering, a sliding window strategy is employed to progressively remove both overly challenging and inefficient easy clusters following an easy-to-hard curriculum.We conduct extensive experiments on large-scale synthetic datasets, including ToCa, SS1M, and ST+MJ, each containing over 3 million samples.SeTa reduces training costs by up to 50\% while maintaining or improving performance, with minimal degradation even at 70\% cost reduction. Furthermore, experiments on various scale real datasets across various backbones (CNNs, Transformers, and Mambas) and diverse tasks (instruction tuning, multi-view stereo, geo-localization, composed image retrieval, referring image segmentation) demonstrate the powerful effectiveness and universality of our approach. Code is available at https://github.com/mrazhou/SeTa.

  • 3 authors
·
Mar 17, 2025

RefDecoder: Enhancing Visual Generation with Conditional Video Decoding

Video generation powers a vast array of downstream applications. However, while the de facto standard, i.e., latent diffusion models, typically employ heavily conditioned denoising networks, their decoders often remain unconditional. We observe that this architectural asymmetry leads to significant loss of detail and inconsistency relative to the input image. To address this, we argue that the decoder requires equal conditioning to preserve structural integrity. We introduce RefDecoder, a reference-conditioned video VAE decoder by injecting high-fidelity reference image signal directly into the decoding process via reference attention. Specifically, a lightweight image encoder maps the reference frame into the detail-rich high-dimensional tokens, which are co-processed with the denoised video latent tokens at each decoder up-sampling stage. We demonstrate consistent improvements across several distinct decoder backbones (e.g., Wan 2.1 and VideoVAE+), achieving up to +2.1dB PSNR over the unconditional baselines on the Inter4K, WebVid, and Large Motion reconstruction benchmarks. Notably, RefDecoder can be directly swapped into existing video generation systems without additional fine-tuning, and we report across-the-board improvements in subject consistency, background consistency, and overall quality scores on the VBench I2V benchmark. Beyond I2V, RefDecoder generalizes well to a wide range of visual generation tasks such as style transfer and video editing refinement.

  • 5 authors
·
May 13

Multi-fidelity climate model parameterization for better generalization and extrapolation

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations, offering a lower computational cost and higher accuracy. Yet, those approaches still suffer from a lack of generalization and extrapolation beyond the training data, which is however critical to projecting climate change or unobserved regimes of turbulence. Here we show that a multi-fidelity approach, which integrates datasets of different accuracy and abundance, can provide the best of both worlds: the capacity to extrapolate leveraging the physically-based parameterization and a higher accuracy using the machine-learning-based parameterizations. In an application to climate modeling, the multi-fidelity framework yields more accurate climate projections without requiring major increase in computational resources. Our multi-fidelity randomized prior networks (MF-RPNs) combine physical parameterization data as low-fidelity and storm-resolving historical run's data as high-fidelity. To extrapolate beyond the training data, the MF-RPNs are tested on high-fidelity warming scenarios, +4K, data. We show the MF-RPN's capacity to return much more skillful predictions compared to either low- or high-fidelity (historical data) simulations trained only on one regime while providing trustworthy uncertainty quantification across a wide range of scenarios. Our approach paves the way for the use of machine-learning based methods that can optimally leverage historical observations or high-fidelity simulations and extrapolate to unseen regimes such as climate change.

  • 4 authors
·
Sep 18, 2023

From Circuits to Hardware: Benchmarking Standard and Qubit-Efficient Quantum Optimization on Real Hardware

Despite rapid progress in quantum optimization, broad real-hardware benchmarks comparing multiple algorithmic families across diverse combinatorial problems under a common protocol remain limited. We benchmark gate-based quantum optimization on four NP-hard problems: multi-dimensional knapsack (MDKP), maximum independent set (MIS), quadratic assignment (QAP), and market-share (MSP). We study VQE, CVaR-VQE, standard, multi-angle, and warm-start QAOA, together with qubit-efficient PCE and QRAO, on IBM Heron r1/r2 processors using resilience-level-2 mitigation. To our knowledge, this includes the first real-hardware QRAO results and the first multi-problem PCE hardware benchmark. Across 247 method-instance combinations, we report transpiled circuit size, hardware outcomes, and an independent-error gate-count fidelity proxy, F_{est}. For MDKP and MIS, an empirical operating point near F_{est}approx 0.1, corresponding to about 770 two-qubit gates at the median Heron-r2 CZ error rate, marks the onset of noise-dominated execution. QAP exposes a separate bottleneck: dense one-hot encodings and an exponentially sparse feasible manifold, with feasible fraction 10!/2^{100} at n=10; no tested hardware method produces a feasible assignment. Compiled QAOA-family circuits are generally noise dominated, and a matched uniform-random control shows that most feasible low-fidelity outcomes fall within the random range, apart from one finite-sample MIS warm-start exception. A SWAP-aware, fractional-gate, Nighthawk-topology compilation counterfactual reduces two-qubit counts but leaves all circuits below F_{est}=10^{-3}. These conclusions apply to the tested implementations rather than QAOA in general. Qubit-efficient methods extend runnable instance sizes, but only within the empirical fidelity budget.

  • 2 authors
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Jul 12

RAAG: Ratio Aware Adaptive Guidance

Flow-based generative models have achieved remarkable progress, with classifier-free guidance (CFG) becoming the standard for high-fidelity generation. However, the conventional practice of applying a strong, fixed guidance scale throughout inference is poorly suited for the rapid, few-step sampling required by modern applications. In this work, we uncover the root cause of this conflict: a fundamental sampling instability where the earliest steps are acutely sensitive to guidance. We trace this to a significant spike in the ratio of conditional to unconditional predictions--a spike that we prove to be an inherent property of the training data distribution itself, making it a almost inevitable challenge. Applying a high, static guidance value during this volatile initial phase leads to an exponential amplification of error, degrading image quality. To resolve this, we propose a simple, theoretically grounded, adaptive guidance schedule that automatically dampens the guidance scale at early steps based on the evolving ratio. Our method is lightweight, incurs no inference overhead, and is compatible with standard frameworks. Experiments across state-of-the-art image (SD3.5, Qwen-Image) and video (WAN2.1) models show our approach enables up to 3x faster sampling while maintaining or improving quality, robustness, and semantic alignment. Our findings highlight that adapting guidance to the sampling process, rather than fixing it, is critical for unlocking the full potential of fast, flow-based models.

  • 10 authors
·
Aug 5, 2025

Efficient and Transferable Adversarial Examples from Bayesian Neural Networks

An established way to improve the transferability of black-box evasion attacks is to craft the adversarial examples on an ensemble-based surrogate to increase diversity. We argue that transferability is fundamentally related to uncertainty. Based on a state-of-the-art Bayesian Deep Learning technique, we propose a new method to efficiently build a surrogate by sampling approximately from the posterior distribution of neural network weights, which represents the belief about the value of each parameter. Our extensive experiments on ImageNet, CIFAR-10 and MNIST show that our approach improves the success rates of four state-of-the-art attacks significantly (up to 83.2 percentage points), in both intra-architecture and inter-architecture transferability. On ImageNet, our approach can reach 94% of success rate while reducing training computations from 11.6 to 2.4 exaflops, compared to an ensemble of independently trained DNNs. Our vanilla surrogate achieves 87.5% of the time higher transferability than three test-time techniques designed for this purpose. Our work demonstrates that the way to train a surrogate has been overlooked, although it is an important element of transfer-based attacks. We are, therefore, the first to review the effectiveness of several training methods in increasing transferability. We provide new directions to better understand the transferability phenomenon and offer a simple but strong baseline for future work.

  • 5 authors
·
Nov 10, 2020

Diversify and Conquer: Diversity-Centric Data Selection with Iterative Refinement

Finetuning large language models on instruction data is crucial for enhancing pre-trained knowledge and improving instruction-following capabilities. As instruction datasets proliferate, selecting optimal data for effective training becomes increasingly important. This work addresses the question: How can we determine the optimal subset of data for effective training? While existing research often emphasizes local criteria like instance quality for subset selection, we argue that a global approach focused on data diversity is more critical. Our method employs k-means clustering to ensure the selected subset effectively represents the full dataset. We propose an iterative refinement method inspired by active learning techniques to resample instances from clusters, reassessing each cluster's importance and sampling weight in every training iteration. This approach reduces the effect of outliers and automatically filters out clusters containing low-quality data. Through extensive evaluation across natural language reasoning, general world knowledge, code and math reasoning tasks, and by fine-tuning models from various families, we observe consistent improvements, achieving a 7% increase over random selection and a 3.8% improvement over state-of-the-art sampling methods. Our work highlights the significance of diversity-first sampling when finetuning LLMs to enhance performance across a broad array of evaluation tasks. Our code is available at https://github.com/for-ai/iterative-data-selection.

  • 4 authors
·
Sep 17, 2024

Denoising, Fast and Slow: Difficulty-Aware Adaptive Sampling for Image Generation

Diffusion- and flow-based models usually allocate compute uniformly across space, updating all patches with the same timestep and number of function evaluations. While convenient, this ignores the heterogeneity of natural images: some regions are easy to denoise, whereas others benefit from more refinement or additional context. Motivated by this, we explore patch-level noise scales for image synthesis. We find that naively varying timesteps across image tokens performs poorly, as it exposes the model to overly informative training states that do not occur at inference. We therefore introduce a timestep sampler that explicitly controls the maximum patch-level information available during training, and show that moving from global to patch-level timesteps already improves image generation over standard baselines. By further augmenting the model with a lightweight per-patch difficulty head, we enable adaptive samplers that allocate compute dynamically where it is most needed. Combined with noise levels varying over both space and diffusion time, this yields Patch Forcing (PF), a framework that advances easier regions earlier so they can provide context for harder ones. PF achieves superior results on class-conditional ImageNet, remains orthogonal to representation alignment and guidance methods, and scales to text-to-image synthesis. Our results suggest that patch-level denoising schedules provide a promising foundation for adaptive image generation.

  • 6 authors
·
Apr 20

VBench-2.0: Advancing Video Generation Benchmark Suite for Intrinsic Faithfulness

Video generation has advanced significantly, evolving from producing unrealistic outputs to generating videos that appear visually convincing and temporally coherent. To evaluate these video generative models, benchmarks such as VBench have been developed to assess their faithfulness, measuring factors like per-frame aesthetics, temporal consistency, and basic prompt adherence. However, these aspects mainly represent superficial faithfulness, which focus on whether the video appears visually convincing rather than whether it adheres to real-world principles. While recent models perform increasingly well on these metrics, they still struggle to generate videos that are not just visually plausible but fundamentally realistic. To achieve real "world models" through video generation, the next frontier lies in intrinsic faithfulness to ensure that generated videos adhere to physical laws, commonsense reasoning, anatomical correctness, and compositional integrity. Achieving this level of realism is essential for applications such as AI-assisted filmmaking and simulated world modeling. To bridge this gap, we introduce VBench-2.0, a next-generation benchmark designed to automatically evaluate video generative models for their intrinsic faithfulness. VBench-2.0 assesses five key dimensions: Human Fidelity, Controllability, Creativity, Physics, and Commonsense, each further broken down into fine-grained capabilities. Tailored for individual dimensions, our evaluation framework integrates generalists such as state-of-the-art VLMs and LLMs, and specialists, including anomaly detection methods proposed for video generation. We conduct extensive annotations to ensure alignment with human judgment. By pushing beyond superficial faithfulness toward intrinsic faithfulness, VBench-2.0 aims to set a new standard for the next generation of video generative models in pursuit of intrinsic faithfulness.

  • 11 authors
·
Mar 27, 2025 2

When Reasoning Models Hurt Behavioral Simulation: A Solver-Sampler Mismatch in Multi-Agent LLM Negotiation

Large language models are increasingly used as agents in social, economic, and policy simulations. A common assumption is that stronger reasoning should improve simulation fidelity. We argue that this assumption can fail when the objective is not to solve a strategic problem, but to sample plausible boundedly rational behavior. In such settings, reasoning-enhanced models can become better solvers and worse simulators: they can over-optimize for strategically dominant actions, collapse compromise-oriented terminal behavior, and sometimes exhibit a diversity-without-fidelity pattern in which local variation survives without outcome-level fidelity. We study this solver-sampler mismatch in three multi-agent negotiation environments adapted from earlier simulation work: an ambiguous fragmented-authority trading-limits scenario, an ambiguous unified-opposition trading-limits scenario, and a new-domain grid-curtailment case in emergency electricity management. We compare three reflection conditions, no reflection, bounded reflection, and native reasoning, across two primary model families and then extend the same protocol to direct OpenAI runs with GPT-4.1 and GPT-5.2. Across all three experiments, bounded reflection produces substantially more diverse and compromise-oriented trajectories than either no reflection or native reasoning. In the direct OpenAI extension, GPT-5.2 native ends in authority decisions in 45 of 45 runs across the three experiments, while GPT-5.2 bounded recovers compromise outcomes in every environment. The contribution is not a claim that reasoning is generally harmful. It is a methodological warning: model capability and simulation fidelity are different objectives, and behavioral simulation should qualify models as samplers, not only as solvers.

  • 1 authors
·
Apr 11 2

Is Hierarchical Quantization Essential for Optimal Reconstruction?

Vector-quantized variational autoencoders (VQ-VAEs) are central to models that rely on high reconstruction fidelity, from neural compression to generative pipelines. Hierarchical extensions, such as VQ-VAE2, are often credited with superior reconstruction performance because they split global and local features across multiple levels. However, since higher levels derive all their information from lower levels, they should not carry additional reconstructive content beyond what the lower-level already encodes. Combined with recent advances in training objectives and quantization mechanisms, this leads us to ask whether a single-level VQ-VAE, with matched representational budget and no codebook collapse, can equal the reconstruction fidelity of its hierarchical counterpart. Although the multi-scale structure of hierarchical models may improve perceptual quality in downstream tasks, the effect of hierarchy on reconstruction accuracy, isolated from codebook utilization and overall representational capacity, remains empirically underexamined. We revisit this question by comparing a two-level VQ-VAE and a capacity-matched single-level model on high-resolution ImageNet images. Consistent with prior observations, we confirm that inadequate codebook utilization limits single-level VQ-VAEs and that overly high-dimensional embeddings destabilize quantization and increase codebook collapse. We show that lightweight interventions such as initialization from data, periodic reset of inactive codebook vectors, and systematic tuning of codebook hyperparameters significantly reduce collapse. Our results demonstrate that when representational budgets are matched, and codebook collapse is mitigated, single-level VQ-VAEs can match the reconstruction fidelity of hierarchical variants, challenging the assumption that hierarchical quantization is inherently superior for high-quality reconstructions.

  • 2 authors
·
Jan 29

SETOL: A Semi-Empirical Theory of (Deep) Learning

We present a SemiEmpirical Theory of Learning (SETOL) that explains the remarkable performance of State-Of-The-Art (SOTA) Neural Networks (NNs). We provide a formal explanation of the origin of the fundamental quantities in the phenomenological theory of Heavy-Tailed Self-Regularization (HTSR): the heavy-tailed power-law layer quality metrics, alpha and alpha-hat. In prior work, these metrics have been shown to predict trends in the test accuracies of pretrained SOTA NN models, importantly, without needing access to either testing or training data. Our SETOL uses techniques from statistical mechanics as well as advanced methods from random matrix theory and quantum chemistry. The derivation suggests new mathematical preconditions for ideal learning, including a new metric, ERG, which is equivalent to applying a single step of the Wilson Exact Renormalization Group. We test the assumptions and predictions of SETOL on a simple 3-layer multilayer perceptron (MLP), demonstrating excellent agreement with the key theoretical assumptions. For SOTA NN models, we show how to estimate the individual layer qualities of a trained NN by simply computing the empirical spectral density (ESD) of the layer weight matrices and plugging this ESD into our SETOL formulas. Notably, we examine the performance of the HTSR alpha and the SETOL ERG layer quality metrics, and find that they align remarkably well, both on our MLP and on SOTA NNs.

  • 2 authors
·
Jul 23, 2025

OFTSR: One-Step Flow for Image Super-Resolution with Tunable Fidelity-Realism Trade-offs

Recent advances in diffusion and flow-based generative models have demonstrated remarkable success in image restoration tasks, achieving superior perceptual quality compared to traditional deep learning approaches. However, these methods either require numerous sampling steps to generate high-quality images, resulting in significant computational overhead, or rely on model distillation, which usually imposes a fixed fidelity-realism trade-off and thus lacks flexibility. In this paper, we introduce OFTSR, a novel flow-based framework for one-step image super-resolution that can produce outputs with tunable levels of fidelity and realism. Our approach first trains a conditional flow-based super-resolution model to serve as a teacher model. We then distill this teacher model by applying a specialized constraint. Specifically, we force the predictions from our one-step student model for same input to lie on the same sampling ODE trajectory of the teacher model. This alignment ensures that the student model's single-step predictions from initial states match the teacher's predictions from a closer intermediate state. Through extensive experiments on challenging datasets including FFHQ (256times256), DIV2K, and ImageNet (256times256), we demonstrate that OFTSR achieves state-of-the-art performance for one-step image super-resolution, while having the ability to flexibly tune the fidelity-realism trade-off. Code and pre-trained models are available at https://github.com/yuanzhi-zhu/OFTSR and https://huggingface.co/Yuanzhi/OFTSR, respectively.

  • 6 authors
·
Dec 12, 2024

Theoretical Foundations of Latent Posterior Factors: Formal Guarantees for Multi-Evidence Reasoning

We present a complete theoretical characterization of Latent Posterior Factors (LPF), a principled framework for aggregating multiple heterogeneous evidence items in probabilistic prediction tasks. Multi-evidence reasoning arises pervasively in high-stakes domains including healthcare diagnosis, financial risk assessment, legal case analysis, and regulatory compliance, yet existing approaches either lack formal guarantees or fail to handle multi-evidence scenarios architecturally. LPF encodes each evidence item into a Gaussian latent posterior via a variational autoencoder, converting posteriors to soft factors through Monte Carlo marginalization, and aggregating factors via exact Sum-Product Network inference (LPF-SPN) or a learned neural aggregator (LPF-Learned). We prove seven formal guarantees spanning the key desiderata for trustworthy AI: Calibration Preservation (ECE <= epsilon + C/sqrt(K_eff)); Monte Carlo Error decaying as O(1/sqrt(M)); a non-vacuous PAC-Bayes bound with train-test gap of 0.0085 at N=4200; operation within 1.12x of the information-theoretic lower bound; graceful degradation as O(epsilon*delta*sqrt(K)) under corruption, maintaining 88% performance with half of evidence adversarially replaced; O(1/sqrt(K)) calibration decay with R^2=0.849; and exact epistemic-aleatoric uncertainty decomposition with error below 0.002%. All theorems are empirically validated on controlled datasets spanning up to 4,200 training examples. Our theoretical framework establishes LPF as a foundation for trustworthy multi-evidence AI in safety-critical applications.

  • 1 authors
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Mar 13 2

Verified Detection and Prevention of Concurrency Anomalies in Multi-Agent Large Language Model Systems

Multi-agent LLM systems share state through memory stores, vector indices, and tool registries. We model such sharing as long-running read-generate-write operations under deterministic-generation semantics -- the regime durable-execution engines enforce by deterministic replay -- and formalize four concurrency anomalies in TLA+: stale-generation, phantom-tool, causal-cascade, and tool-effect reordering, structural analogues of classical isolation anomalies, each with a TLC counter-example. The exclusion lattice over these anomalies is trivial; the contribution is the mechanically verified realizability and strict separation of one maximal chain within it, L_0 subsetneq cdots subsetneq L_4, to our knowledge the first machine-checked consistency hierarchy for such runtimes. A development of 274 Verus obligations (zero assume, zero admit; trust base: two structural axioms and a mutex correspondence) proves the detectors sound and complete against the specifications and each runtime its avoidance set. Three deployed Rust runtimes realize L0-L1 (pessimistic locking, serializable snapshot isolation, default-SI), each verified against stale-generation and refined to its state machine; L2-L4 are exec-mode-verified with dependency-free prevention twins (A3, A6, A2: 0/1000 versus 1000/1000), and L2 is run live across three model families (A3 prevented in all 120 retracted sessions). We reproduce a silent lost update in ByteDance's deer-flow, formalizing its fix as a verified L_0 to L_1 refinement, and exhibit tool-effect reordering in LangGraph's ToolNode on unmodified output, removed by an L3 commit-order sequencer. The verified detector, refinements, and realizability artifacts are the contribution; the phenomena and lattice are classical.

  • 1 authors
·
Jun 14 1

Aioli: A Unified Optimization Framework for Language Model Data Mixing

Language model performance depends on identifying the optimal mixture of data groups to train on (e.g., law, code, math). Prior work has proposed a diverse set of methods to efficiently learn mixture proportions, ranging from fitting regression models over training runs to dynamically updating proportions throughout training. Surprisingly, we find that no existing method consistently outperforms a simple stratified sampling baseline in terms of average test perplexity. To understand this inconsistency, we unify existing methods into a standard framework, showing they are equivalent to solving a common optimization problem: minimize average loss subject to a method-specific mixing law -- an implicit assumption on the relationship between loss and mixture proportions. This framework suggests that measuring the fidelity of a method's mixing law can offer insights into its performance. Empirically, we find that existing methods set their mixing law parameters inaccurately, resulting in the inconsistent mixing performance we observe. Using this insight, we derive a new online method named Aioli, which directly estimates the mixing law parameters throughout training and uses them to dynamically adjust proportions. Aioli outperforms stratified sampling on 6 out of 6 datasets by an average of 0.27 test perplexity points, whereas existing methods fail to consistently beat stratified sampling, doing up to 6.9 points worse. Moreover, in a practical setting where proportions are learned on shorter runs due to computational constraints, Aioli can dynamically adjust these proportions over the full training run, consistently improving performance over existing methods by up to 12.012 test perplexity points.

  • 5 authors
·
Nov 8, 2024 2

The Faithfulness Gap: Certifying Semantic Equivalence Between Natural-Language and Formal Mathematical Statements

Autoformalization, translating natural-language mathematics into formal proof assistants, is bottlenecked not by translation fluency but by faithfulness: a formal statement can typecheck and be provable, yet still encode a different theorem than the source intended. We introduce Bidirectional Provability Fingerprinting (), a framework that certifies faithfulness by characterizing each candidate through its forward and backward consequence neighborhoods in the ambient theory and matching these against probes derived from the natural-language statement. We further introduce four novel components: (i) Counterfactual Probe Generation (), a contrastive procedure that synthesizes probes targeting specific drift directions; (ii) the Equivalence Spectrum, a continuous faithfulness score that replaces brittle binary verdicts; (iii) Adaptive Probe Budget Allocation (), an information-theoretic budget router; and (iv) Faithfulness-Guided Decoding (), which uses signals as a reward during autoformalization. We prove a drift detection theorem and a PAC-faithfulness result establishing that the equivalence class of a natural language statement is learnable from O(log(1/δ)/varepsilon) probes under mild assumptions. We release , a benchmark of 2{,}183 NL/Lean~4 pairs with controlled drift labels across six subfields of mathlib4. \,+\, detects 89.6% of drifted formalizations at a 3.0% false-positive rate-against 41.2% for typecheck and 63.3% for LLM-judge baselines, and reduces the rate at which a state-of-the-art autoformalizer emits drifted statements by 47%. https://pmlrbd.github.io/BPF/

  • 2 authors
·
Jun 14

4KLSDB: A Large-Scale Dataset for 4K Image Restoration and Generation

High-resolution datasets are essential for advancing super-resolution (SR) and text-to-image (T2I) diffusion research. However, current publicly available datasets lack both the native 4K resolution and the extensive scale necessary for training state-of-the-art models. To address this gap, we introduce a 4K Large Scale Dataset and Benchmark (4KLSDB), a large-scale, diverse dataset consisting of 129,484 carefully curated 4K resolution images spanning multiple categories such as nature, urban scenes, people, food, artwork, and CGI, alongside distinct validation and test sets containing 2,000 and 1,984 images respectively. Images were sourced from established open datasets including Photo Concept Bucket, Laion2B, and PD12M. 4KLSDB underwent rigorous multi-stage automated filtering and annotation pipelines involving both human annotators and Large Multimodal Models (LMMs) to ensure high aesthetic quality and dataset consistency. We demonstrate 4KLSDB's effectiveness by training representative super-resolution and diffusion models, observing significant improvements in performance on native 4K benchmarks. Comprehensive experiments illustrate a positive correlation between training on true 4K resolution data and improved fidelity in image restoration task, especially on 4K resolution. We provide the research community a valuable resource to drive progress toward genuinely high-fidelity image synthesis and restoration by providing 4KLSDB. Our project page is available at: https://4klsdb.github.io/.

  • 9 authors
·
May 22

Which Invariance Should We Transfer? A Causal Minimax Learning Approach

A major barrier to deploying current machine learning models lies in their non-reliability to dataset shifts. To resolve this problem, most existing studies attempted to transfer stable information to unseen environments. Particularly, independent causal mechanisms-based methods proposed to remove mutable causal mechanisms via the do-operator. Compared to previous methods, the obtained stable predictors are more effective in identifying stable information. However, a key question remains: which subset of this whole stable information should the model transfer, in order to achieve optimal generalization ability? To answer this question, we present a comprehensive minimax analysis from a causal perspective. Specifically, we first provide a graphical condition for the whole stable set to be optimal. When this condition fails, we surprisingly find with an example that this whole stable set, although can fully exploit stable information, is not the optimal one to transfer. To identify the optimal subset under this case, we propose to estimate the worst-case risk with a novel optimization scheme over the intervention functions on mutable causal mechanisms. We then propose an efficient algorithm to search for the subset with minimal worst-case risk, based on a newly defined equivalence relation between stable subsets. Compared to the exponential cost of exhaustively searching over all subsets, our searching strategy enjoys a polynomial complexity. The effectiveness and efficiency of our methods are demonstrated on synthetic data and the diagnosis of Alzheimer's disease.

  • 5 authors
·
Jul 5, 2021

Dissecting Bit-Level Scaling Laws in Quantizing Vision Generative Models

Vision generative models have recently made significant advancements along two primary paradigms: diffusion-style and language-style, both of which have demonstrated excellent scaling laws. Quantization is crucial for efficiently deploying these models, as it reduces memory and computation costs. In this work, we systematically investigate the impact of quantization on these two paradigms. Surprisingly, despite achieving comparable performance in full precision, language-style models consistently outperform diffusion-style models across various quantization settings. This observation suggests that language-style models have superior bit-level scaling laws, offering a better tradeoff between model quality and total bits. To dissect this phenomenon, we conduct extensive experiments and find that the primary reason is the discrete representation space of language-style models, which is more tolerant of information loss during quantization. Furthermore, our analysis indicates that improving the bit-level scaling law of quantized vision generative models is challenging, with model distillation identified as a highly effective approach. Specifically, we propose TopKLD to optimize the transfer of distilled knowledge by balancing ``implicit knowledge'' and ``explicit knowledge'' during the distillation process. This approach elevates the bit-level scaling laws by one level across both integer and floating-point quantization settings.

  • 4 authors
·
Jan 6, 2025

VeriCoder: Enhancing LLM-Based RTL Code Generation through Functional Correctness Validation

Recent advances in Large Language Models (LLMs) have sparked growing interest in applying them to Electronic Design Automation (EDA) tasks, particularly Register Transfer Level (RTL) code generation. While several RTL datasets have been introduced, most focus on syntactic validity rather than functional validation with tests, leading to training examples that compile but may not implement the intended behavior. We present VERICODER, a model for RTL code generation fine-tuned on a dataset validated for functional correctness. This fine-tuning dataset is constructed using a novel methodology that combines unit test generation with feedback-directed refinement. Given a natural language specification and an initial RTL design, we prompt a teacher model (GPT-4o-mini) to generate unit tests and iteratively revise the RTL design based on its simulation results using the generated tests. If necessary, the teacher model also updates the tests to ensure they comply with the natural language specification. As a result of this process, every example in our dataset is functionally validated, consisting of a natural language description, an RTL implementation, and passing tests. Fine-tuned on this dataset of over 125,000 examples, VERICODER achieves state-of-the-art metrics in functional correctness on VerilogEval and RTLLM, with relative gains of up to 71.7% and 27.4% respectively. An ablation study further shows that models trained on our functionally validated dataset outperform those trained on functionally non-validated datasets, underscoring the importance of high-quality datasets in RTL code generation.

  • 8 authors
·
Apr 22, 2025

MultiCrafter: High-Fidelity Multi-Subject Generation via Spatially Disentangled Attention and Identity-Aware Reinforcement Learning

Multi-subject image generation aims to synthesize user-provided subjects in a single image while preserving subject fidelity, ensuring prompt consistency, and aligning with human aesthetic preferences. However, existing methods, particularly those built on the In-Context-Learning paradigm, are limited by their reliance on simple reconstruction-based objectives, leading to both severe attribute leakage that compromises subject fidelity and failing to align with nuanced human preferences. To address this, we propose MultiCrafter, a framework that ensures high-fidelity, preference-aligned generation. First, we find that the root cause of attribute leakage is a significant entanglement of attention between different subjects during the generation process. Therefore, we introduce explicit positional supervision to explicitly separate attention regions for each subject, effectively mitigating attribute leakage. To enable the model to accurately plan the attention region of different subjects in diverse scenarios, we employ a Mixture-of-Experts architecture to enhance the model's capacity, allowing different experts to focus on different scenarios. Finally, we design a novel online reinforcement learning framework to align the model with human preferences, featuring a scoring mechanism to accurately assess multi-subject fidelity and a more stable training strategy tailored for the MoE architecture. Experiments validate that our framework significantly improves subject fidelity while aligning with human preferences better.

  • 7 authors
·
Sep 26, 2025 2

Sharper Bounds for ell_p Sensitivity Sampling

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

  • 2 authors
·
Jun 1, 2023

Verification of the Implicit World Model in a Generative Model via Adversarial Sequences

Generative sequence models are typically trained on sample sequences from natural or formal languages. It is a crucial question whether -- or to what extent -- sample-based training is able to capture the true structure of these languages, often referred to as the ``world model''. Theoretical results indicate that we can hope for soundness at best, that is, generating valid sequences, but not necessarily all of them. However, it is still important to have practical tools that are able to verify whether a given sequence model is sound. In this study, we focus on chess, as it is a domain that provides enough complexity while having a simple rule-based world model. We propose adversarial sequence generation for verifying the soundness of the sequence model. Our adversaries generate valid sequences so as to force the sequence model to generate an invalid next move prediction. Apart from the falsification of soundness, this method is also suitable for a more fine-grained analysis of the failure modes and the effects of different choices during training. To demonstrate this, we propose a number of methods for adversarial sequence generation and evaluate the approach on a large set of chess models. We train models on random as well as high-quality chess games, using several training recipes. We find that none of the models are sound, but some training techniques and dataset choices are able to improve soundness remarkably. We also investigate the potential application of board state probes in both our training and attack methods. Our findings indicate that the extracted board states have no causal role in next token prediction in most of the models.

  • 2 authors
·
Feb 5

AQCat25: Unlocking spin-aware, high-fidelity machine learning potentials for heterogeneous catalysis

Large-scale datasets have enabled highly accurate machine learning interatomic potentials (MLIPs) for general-purpose heterogeneous catalysis modeling. There are, however, some limitations in what can be treated with these potentials because of gaps in the underlying training data. To extend these capabilities, we introduce AQCat25, a complementary dataset of 13.5 million density functional theory (DFT) single point calculations designed to improve the treatment of systems where spin polarization and/or higher fidelity are critical. We also investigate methodologies for integrating new datasets, such as AQCat25, with the broader Open Catalyst 2020 (OC20) dataset to create spin-aware models without sacrificing generalizability. We find that directly tuning a general model on AQCat25 leads to catastrophic forgetting of the original dataset's knowledge. Conversely, joint training strategies prove effective for improving accuracy on the new data without sacrificing general performance. This joint approach introduces a challenge, as the model must learn from a dataset containing both mixed-fidelity calculations and mixed-physics (spin-polarized vs. unpolarized). We show that explicitly conditioning the model on this system-specific metadata, for example by using Feature-wise Linear Modulation (FiLM), successfully addresses this challenge and further enhances model accuracy. Ultimately, our work establishes an effective protocol for bridging DFT fidelity domains to advance the predictive power of foundational models in catalysis.

  • 3 authors
·
Oct 26, 2025

Population Aware Diffusion for Time Series Generation

Diffusion models have shown promising ability in generating high-quality time series (TS) data. Despite the initial success, existing works mostly focus on the authenticity of data at the individual level, but pay less attention to preserving the population-level properties on the entire dataset. Such population-level properties include value distributions for each dimension and distributions of certain functional dependencies (e.g., cross-correlation, CC) between different dimensions. For instance, when generating house energy consumption TS data, the value distributions of the outside temperature and the kitchen temperature should be preserved, as well as the distribution of CC between them. Preserving such TS population-level properties is critical in maintaining the statistical insights of the datasets, mitigating model bias, and augmenting downstream tasks like TS prediction. Yet, it is often overlooked by existing models. Hence, data generated by existing models often bear distribution shifts from the original data. We propose Population-aware Diffusion for Time Series (PaD-TS), a new TS generation model that better preserves the population-level properties. The key novelties of PaD-TS include 1) a new training method explicitly incorporating TS population-level property preservation, and 2) a new dual-channel encoder model architecture that better captures the TS data structure. Empirical results in major benchmark datasets show that PaD-TS can improve the average CC distribution shift score between real and synthetic data by 5.9x while maintaining a performance comparable to state-of-the-art models on individual-level authenticity.

  • 5 authors
·
Jan 1, 2025 2

Neural Execution Engines: Learning to Execute Subroutines

A significant effort has been made to train neural networks that replicate algorithmic reasoning, but they often fail to learn the abstract concepts underlying these algorithms. This is evidenced by their inability to generalize to data distributions that are outside of their restricted training sets, namely larger inputs and unseen data. We study these generalization issues at the level of numerical subroutines that comprise common algorithms like sorting, shortest paths, and minimum spanning trees. First, we observe that transformer-based sequence-to-sequence models can learn subroutines like sorting a list of numbers, but their performance rapidly degrades as the length of lists grows beyond those found in the training set. We demonstrate that this is due to attention weights that lose fidelity with longer sequences, particularly when the input numbers are numerically similar. To address the issue, we propose a learned conditional masking mechanism, which enables the model to strongly generalize far outside of its training range with near-perfect accuracy on a variety of algorithms. Second, to generalize to unseen data, we show that encoding numbers with a binary representation leads to embeddings with rich structure once trained on downstream tasks like addition or multiplication. This allows the embedding to handle missing data by faithfully interpolating numbers not seen during training.

  • 5 authors
·
Jun 14, 2020

Persistent Robot World Models: Stabilizing Multi-Step Rollouts via Reinforcement Learning

Action-conditioned robot world models generate future video frames of the manipulated scene given a robot action sequence, offering a promising alternative for simulating tasks that are difficult to model with traditional physics engines. However, these models are optimized for short-term prediction and break down when deployed autoregressively: each predicted clip feeds back as context for the next, causing errors to compound and visual quality to rapidly degrade. We address this through the following contributions. First, we introduce a reinforcement learning (RL) post-training scheme that trains the world model on its own autoregressive rollouts rather than on ground-truth histories. We achieve this by adapting a recent contrastive RL objective for diffusion models to our setting and show that its convergence guarantees carry over exactly. Second, we design a training protocol that generates and compares multiple candidate variable-length futures from the same rollout state, reinforcing higher-fidelity predictions over lower-fidelity ones. Third, we develop efficient, multi-view visual fidelity rewards that combine complementary perceptual metrics across camera views and are aggregated at the clip level for dense, low-variance training signal. Fourth, we show that our approach establishes a new state-of-the-art for rollout fidelity on the DROID dataset, outperforming the strongest baseline on all metrics (e.g., LPIPS reduced by 14% on external cameras, SSIM improved by 9.1% on the wrist camera), winning 98% of paired comparisons, and achieving an 80% preference rate in a blind human study.

  • 4 authors
·
Mar 26

RWKU: Benchmarking Real-World Knowledge Unlearning for Large Language Models

Large language models (LLMs) inevitably memorize sensitive, copyrighted, and harmful knowledge from the training corpus; therefore, it is crucial to erase this knowledge from the models. Machine unlearning is a promising solution for efficiently removing specific knowledge by post hoc modifying models. In this paper, we propose a Real-World Knowledge Unlearning benchmark (RWKU) for LLM unlearning. RWKU is designed based on the following three key factors: (1) For the task setting, we consider a more practical and challenging unlearning setting, where neither the forget corpus nor the retain corpus is accessible. (2) For the knowledge source, we choose 200 real-world famous people as the unlearning targets and show that such popular knowledge is widely present in various LLMs. (3) For the evaluation framework, we design the forget set and the retain set to evaluate the model's capabilities across various real-world applications. Regarding the forget set, we provide four four membership inference attack (MIA) methods and nine kinds of adversarial attack probes to rigorously test unlearning efficacy. Regarding the retain set, we assess locality and utility in terms of neighbor perturbation, general ability, reasoning ability, truthfulness, factuality, and fluency. We conduct extensive experiments across two unlearning scenarios, two models and six baseline methods and obtain some meaningful findings. We release our benchmark and code publicly at http://rwku-bench.github.io for future work.

  • 9 authors
·
Jun 16, 2024

Sample-efficient Integration of New Modalities into Large Language Models

Multimodal foundation models can process several modalities. However, since the space of possible modalities is large and evolving over time, training a model from scratch to encompass all modalities is unfeasible. Moreover, integrating a modality into a pre-existing foundation model currently requires a significant amount of paired data, which is often not available for low-resource modalities. In this paper, we introduce a method for sample-efficient modality integration (SEMI) into Large Language Models (LLMs). To this end, we devise a hypernetwork that can adapt a shared projector -- placed between modality-specific encoders and an LLM -- to any modality. The hypernetwork, trained on high-resource modalities (i.e., text, speech, audio, video), is conditioned on a few samples from any arbitrary modality at inference time to generate a suitable adapter. To increase the diversity of training modalities, we artificially multiply the number of encoders through isometric transformations. We find that SEMI achieves a significant boost in sample efficiency during few-shot integration of new modalities (i.e., satellite images, astronomical images, inertial measurements, and molecules) with encoders of arbitrary embedding dimensionality. For instance, to reach the same accuracy as 32-shot SEMI, training the projector from scratch needs 64times more data. As a result, SEMI holds promise to extend the modality coverage of foundation models.

  • 4 authors
·
Sep 4, 2025