Diversity-Aware Sampling

Strong guidance in text-to-image (T2I) diffusion models concentrates sampling toward high-density modes of the conditional distribution, collapsing independently sampled noise vectors onto nearly identical visual prototypes. This limits utility for tasks that demand distributional breadth, most critically synthetic data augmentation. Diversity, however, is a collective property of the whole batch: a set can preserve every pairwise distance yet still collapse onto a low-dimensional subspace. Existing sum-of-pairwise noise-optimization and repulsion objectives respond only weakly to this higher-order failure. We propose DetNO (Determinant Noise Optimization), which formulates diverse generation as RKHS volume maximization on the initial noise, maximizing the log-determinant of an RBF Gram matrix over one-step Tweedie predictions. This set-level functional equals the squared batch volume; its repulsion is strongest when the batch is most collapsed and self-attenuates as diversity is achieved. An anchor-based fidelity term keeps the optimized noises near plausible regions, and Lagrangian relaxation gives a two-term objective with a single hyperparameter $λ$ governing the diversity-quality trade-off, without training or sampler modification. Across three backbones (SD1.5, SDXL, SD3), DetNO achieves leading intra-batch diversity in VendiScore and Mean Self-Similarity, and a downstream few-shot classification experiment confirms that broader mode coverage brings statistically significant accuracy gains for synthetic data augmentation in the low-shot regime. Fixing the pipeline and varying only the batch objective, both RBF-based aggregators outperform InfoNCE, and the log-determinant attains the best downstream accuracy on both benchmarks. Its diversity advantage over InfoNCE widens as the batch grows. Code is available at https://github.com/mobled37/DetNO.

Modern generative models produce high-quality individual outputs but struggle to sample diversely, even when explicitly instructed to do so. We introduce MINE-SAMPLE-RENDER (MSR), a test-time approach that externalizes the diversity into an explicit, corpus-derived sampling procedure. Our pipeline (i) mines an interpretable categorical schema from a corpus of real artifacts and supplies statistics for sampling; (ii) samples attribute configurations from the corpus-derived statistics; (iii) uses a generative model purely as a conditional renderer of a sampled configuration. Across weather report generation, user simulation, webpage design, text-to-image generation, and agent-generated 3D assets, we evaluate the diversity and output quality of MSR-guided generation and show that MSR improves alignment with corpus distributions and diversity of generated outputs.

Generative models often suffer from mode collapse and limited sample diversity. While prior works attempt to mitigate this by jointly generating a batch of samples and repelling their trajectories, these heuristics do not explicitly maximize the diversity of the resulting endpoints. We introduce JIVE, a training-free framework that enhances generative diversity by injecting velocity perturbations aligned with the leading right singular subspace of the generator's endpoint Jacobian. By leveraging this local geometric structure, JIVE provably maximizes endpoint diversity while preserving sample quality. To maintain practical efficiency, we compute these perturbation directions via matrix-free iterations rooted in classical numerical linear algebra, requiring only a small computational overhead. Across different benchmarks, JIVE boosts both pixel and feature-level diversity in few-step and one-step generation.

Verified solutions are not equally useful for preparing reasoning models for reinforcement learning (RL). We present a comprehensive study of route diversity, the variation in the sequences of reasoning steps in supervised fine-tuning (SFT) data, and propose a lightweight, rule-based fingerprint to select for it. From one pool at one budget, with matched training recipes and checkpoints, selecting diverse rather than similar routes improves post-RL problem coverage across puzzles and mathematics, including on problems harder than those seen in either training stage. In synthetic experiments, route-diverse SFT improves OLMo3-7B's pass@8 by 16.9 points on environments held out from SFT. In a single-model condition, where one model writes every candidate, diverse selection gains up to 6.2 points of mean pass@8 across 10 mathematics benchmarks. Pre-RL diagnostics suggest why: diverse SFT can produce both successful and failed attempts on more prompts despite slightly lower mean accuracy, giving group-relative RL more prompts with a learning signal. On 3 open-source corpora, our CPU-only selector, without model calls, outperforms more expensive alternatives in every comparison of mean post-RL performance. These results identify reasoning-route diversity as a practical criterion for selecting SFT data that better prepares models for RL.

We propose DAST (Diversifying Arithmetic Sampling with TokenTour), a method that increases the diversity of LLM outputs without any change to the marginal distribution and with negligible generation-time overhead (a few microseconds). We observe that token IDs are often arranged in a meaningless order and reassign them so that tokens with similar meanings appear consecutively. This can be done in advance in a few hundred seconds per model, and the resulting order can be reused for all subsequent generations. By combining this order with arithmetic sampling (or quasi-Monte Carlo methods), we make similar tokens less likely to be generated across runs while preserving the distribution. Our method not only produces qualitatively good ideas but also significantly improves performance on the downstream task of ProtoQA.

Many LLM training and inference methods, including RL and test-time scaling, depend on repeated sampling, but benefit only when the responses meaningfully differ. Self-training faces the same challenge: training data is typically constructed by sampling IID responses and filtering primarily for correctness, thereby overrepresenting strategies a model already favours. We investigate strategic diversity, or substantive variation among approaches to a problem, as an alternative principle for constructing self-training data. We generate strategically diverse data with two sampling methods: GROOT, a new method which constructs a hierarchical tree of approaches and samples distinct paths, and Verbalized Sampling (VS), adapted to produce an unstructured set of approaches. Across competitive programming and Next-Chapter Prediction domains, models trained on strategically sampled data outperform IID-trained counterparts on difficult tasks and provide strong initializations for RL and test-time scaling. Most strikingly, self-training on strategically diverse but incorrect traces from Qwen3-4B outperforms IID distillation from a 235B teacher. These results challenge prevailing assumptions about what makes useful self-training data and show that diversity of approaches can matter more than correctness or teacher scale.

Standard decoding rules for autoregressive language models promote diversity by rescaling the full next-token distribution or truncating its low-probability tail. These strategies overlook a common regime of open-ended generation in which several continuations are plausible but too much probability mass remains concentrated on the most generic choice. We introduce XTC (Exclude Top Choices), a lightweight head-aware decoding operator that targets this regime directly. XTC identifies tokens whose probabilities exceed an absolute plausibility threshold $τ$: when at least two qualify, it removes the dominant eligible choices with probability $ρ$ and retains only the weakest plausible alternative before renormalization. Across 60 experiments on Gemma 3 27B Q4, Gemma 3 12B Q6, and DeepSeek R1 14B Q6, with scaling validation on Llama 3.3 70B Q4, XTC improves the diversity-repetition Pareto frontier. On creative generation, Distinct-2 increases by 11--15% and repeat trigrams decrease by 27--47% across the four models. Combined with temperature scaling, gains reach 38% in Distinct-2 and 71% in repeat-trigram reduction over baseline. A blinded Amazon Mechanical Turk study with 150 Master raters yields a 62.3% creativity preference for XTC ($p<10^{-4}$) without reduced fluency, while a GPT-4o control judge reproduces the Anthropic-judge direction on every measure. On IFEval with Llama 3.3 70B Q4, XTC preserves prompt-level strict accuracy within 1.7 percentage points of baseline while recovering most of the diversity gain; a temperature setting matched on Distinct-2 reduces IFEval by 8.8 points. The effect is additive with temperature and repetition penalties, robust across quantization levels and model families, and consistent across twelve prompt genres. XTC has been adopted by llama.cpp, ExLlamaV2, and text-generation-webui.

Recent generative models can produce high-quality synthetic images, offering scalable training training data for data-hungry models. Existing approaches to exploiting this potential typically involve 1) training or fine-tuning generators, or 2) using lightweight post-hoc adaptation like prompt engineering or inference-time guidance, making them generator-specific and expertise-intensive. We study a complementary question: given a fixed pool of generated images, can downstream utility be improved purely by selecting an informative subset? The answer is yes. We show that effective selection must counter a structural bias of modern generators: they tend to over-produce canonical modes of each class while underrepresenting intra-class variation. Building on this insight, we split each real class into a canonical Homogeneous (HO) subset and a non-redundant Heterogeneous (HE) subset, then score synthetic images by a fidelity-diversity criterion that rewards semantic alignment while penalizing canonical redundancy. The method is generator-agnostic and requires no retraining. Across multiple benchmarks, it consistently outperforms state-of-the-art data selection baselines and matches the real-data performance with up to 40% fewer synthetic samples. The same criterion remains effective when applied on top of stronger task-tuned generators, with gains on both classification and segmentation tasks. Post-generation selection is therefore not a substitute for better generators, but a complementary mechanism for improving the utility of synthetic data.

Diffusion models are typically sampled independently, even when the downstream objective is to obtain a diverse set of candidates. We introduce a variance-weighted batch distribution that favours collections of samples with large empirical spread after a prescribed linear feature map. The target is specified explicitly, and the sampler is derived as the corresponding Doob $h$-transform of independent diffusion dynamics. The resulting correction has a compact form: an interaction term that repels posterior denoised means, together with a curvature term that moves particles to the region of higher feature variance. This yields an interacting-particle sampler with a transparent probabilistic target rather than a heuristic repulsive drift.

Test-time scaling for agentic search typically increases depth (i.e., more turns and tokens per trajectory) or breadth (i.e., more parallel rollouts). Here we focus on breadth scaling, showing that standard parallel sampling yields diminishing returns, tracing this to query redundancy at the first turn. When models issue similar first queries across rollouts, the threads retrieve overlapping evidence, and subsequent turns are conditioned on this shared retrieval. We address this limitation with DivInit, a training-free intervention at the first turn. Rather than sampling k independent first queries, DivInit draws n candidates from a single call, picks k < n diverse seeds, and runs them as parallel trajectories. Across five open-weight models and eight benchmarks, DivInit consistently improves over standard parallel sampling, with average gains of five to seven points on multi-hop QA at matched compute. Code available at https://github.com/cxcscmu/diverse-query-initialization

Diversity plays a critical role in data selection, improving performance under fixed data budgets by reducing redundancy and repetition. However, optimizing for diversity is inherently challenging, as it is a set-level property that depends on interactions between data points rather than individual examples. As a result, existing approaches typically rely on proxies or approximations, which often fail to ensure sufficiently diverse subsets. In this work, we directly optimize diversity by introducing a probabilistic diversification framework based on the G-Vendi score, optimized via exponentiated gradient descent. Our method produces subsets that are substantially more diverse than those obtained via random sampling, achieving a +489 increase in G-Vendi score on a 500k-sample subset. We evaluate our approach on FineWeb and DCLM, where it consistently outperforms existing methods. Notably, SPOKES (diversity-only) improves average downstream performance by +0.4 and +0.5 points over random sampling on DCLM and FineWeb, respectively. More importantly, jointly optimizing for both quality and diversity yields the strongest results: SPOKES achieves gains of +1.5 and +1.4 points on DCLM and FineWeb, outperforming all baselines, including semantic deduplication and quality filtering.

Large language models (LLMs) have enabled web agents that follow natural language goals through multi-step browser interactions. However, agents fine-tuned on specific trajectories and domain often struggle to generalize out of domain, and offline training can be compute-inefficient due to noisy, redundant trajectories and long accessibility-tree (AXTree) states. To address both issues, we propose Weasel, a trajectory selection method for offline training of web agents. Weasel selects a fixed-budget subset of trajectory steps by optimizing an objective that balances unary importance with pairwise diversity over states, websites, and interaction patterns, solving efficiently with a greedy algorithm. We further improve efficiency with target-centered AXTree pruning that keeps only content around the ground-truth action target, and we mitigate style mismatch for reasoning-native models by replacing expert traces with model-generated, style-consistent rationales. Across AgentTrek and NNetNav training datasets, evaluations in WebArena, WorkArena, and MiniWob, and experiments with Qwen2.5-7B, Gemma3-4B, and Qwen3-8B, Weasel improves out-of-domain performance while reducing training cost, producing roughly 9.7-12.5$\times$ training speedups over standard fine-tuning. We make the code available at https://github.com/fatemehpesaran310/weasel.

Deep neural networks have achieved impressive performance across a wide range of tasks, but this success often comes with substantial computational and storage costs due to large-scale training data. Dataset distillation addresses this challenge by constructing compact yet informative datasets that enable efficient model training while maintaining downstream performance. However, most existing approaches primarily emphasize matching data distributions or downstream training statistics, with limited attention to preserving high-level semantic information in the distilled data. In this work, we introduce a semantic-aware perspective for dataset distillation by leveraging Contrastive Language-Image Pretraining (CLIP) as a semantic prior for post-sampling. Our goal is to obtain distilled datasets that are not only compact but also semantically class-discriminative and diverse. To this end, we design three semantic scoring functions that quantify class relevance, inter-class separability, and intra-set diversity in a pretrained semantic space. Based on image pools generated by existing distillation methods, we further develop a two-stage strategy for effective sampling: the first stage filters semantically discriminative samples to form a reliable candidate set, and the second stage performs a dynamic diversity-aware selection to reduce redundancy while preserving semantic coverage. Extensive experiments across multiple datasets, image pools, and downstream models demonstrate consistent performance gains, highlighting the effectiveness of incorporating semantic information into dataset distillation.

Modern generative models can produce high-quality samples, but independent samples under the same condition often yields highly similar outputs. Particle-based methods increase diversity by letting the samples in a batch interact, typically through a repulsive force. These forces, however, also push each sample away from the data distribution and produce visible artifacts. We introduce EDDY, a training-free particle guidance method designed to avoid this failure mode. Instead of a repulsive gradient, EDDY couples particles through anti-symmetric matrix fields passed through a Stein operator, a family of drift perturbations that leaves the Fokker--Planck equation invariant. Unlike repulsive guidance, these interactions do not alter a particle's distribution while the batch is independent. For the same reason they cannot create diversity on their own, so EDDY pairs them with a negatively correlated initialization that keeps each particle's prior exact. To use EDDY with perceptual kernels such as DINOv2, we approximate its second-order terms with finite differences and Hutchinson estimates. Across FLUX.1-dev, FLUX.2-klein and SDXL, EDDY achieves higher image quality and prompt alignment than existing particle guidance methods at matched diversity.

Materials science data collection can be expensive, making dataset reuse and long-term utility important for future discovery. In practice, data collection often prioritizes properties of current interest while other properties are excluded from the acquisition process. This can produce datasets that are well suited for current objectives but lose information needed for properties of future interest. Here, we present how to construct datasets that remain informative for both. We develop and evaluate acquisition frameworks that combine predictive disagreement with diversity in material features, predicted outcomes, or both. We test these approaches across four DFT datasets and an experimental thermoelectric dataset. Diversity inclusion in dataset construction can reduce present and future objectives trade-off by preserving a broader range of materials and property behavior during acquisition. Across all datasets, the Non-dominated Sorting Genetic Algorithm II with disagreements and feature diversity (NSGA-II Dis. + diversity) framework developed in this work provides the most robust balance between current and future objectives. It maintains prediction performance above random sampling for current objectives while mitigating bias on excluded properties and, in many cases, improving their performance beyond random sampling. This diversity-aware acquisition framework provides a practical route to building materials datasets with unbiased quality entries and mitigating cold-start limitations in subsequent modeling and discovery campaigns.

Much work has been done on designing fast and accurate sampling for diffusion language models (dLLMs). However, these efforts have largely focused on the tradeoff between speed and quality of individual samples; how to additionally ensure diversity across samples remains less well understood. In this work, we show that diversity can be increased by using softened, tempered versions of familiar confidence-based remasking heuristics, retaining their computational benefits and offering simple implementations. We motivate this approach by introducing an idealized formal model of fork tokens and studying the impact of remasking on the expected entropy at the forks. Empirically, the proposed tempered heuristics close the exploration gap (pass@k) between existing confidence-based and autoregressive sampling, hence outperforming both when controlling for cost (pass@NFE). We further study how the increase in diversity translates to downstream post-training and test-time compute scaling. Overall, our findings demonstrate that simple, efficient, and diverse sampling from dLLMs is possible.

Dynamic data selection accelerates training by sampling a changing subset of the dataset while preserving accuracy. We rethink two core notions underlying sample evaluation: representativeness and diversity. Instead of local geometric centrality, we define representativeness as coverage of dataset-level common or high-frequency feature factors. Instead of within-subset dispersion, we define diversity at the process level, requiring the selection trajectory to gradually include complementary rare factors over training. Based on this view, we propose a dynamic selection framework with three components. First, we score representativeness in a plug-in feature space to prioritize samples covering frequent factors. We instantiate this with a sparse autoencoder trained on the target dataset, using sparse unit activations to summarize both individual samples and dataset-wide factor statistics. Second, we realize process-level diversity by combining rare-factor sampling with a Usage-Frequency Penalty that promotes sample rotation, provably discourages monopoly, and reduces gradient bias. Third, we couple the two-dimensional scoring with a smooth scheduler that transitions selection from core-pattern consolidation to rare-factor exploration, without extra gradients, influence estimates, or second-order computations on the training model. Extensive experiments on five benchmarks across vision and text tasks demonstrate improved accuracy-efficiency trade-offs across models. Our method matches or exceeds full-data accuracy with over 2x training acceleration. Code will be released.

Diverse outputs in text generation are necessary for effective exploration in complex reasoning tasks, such as code generation and mathematical problem solving. Such Pass@$k$ problems benefit from distinct candidates covering the solution space. However, traditional sampling approaches often waste computational resources on repetitive failure modes. While Diffusion Language Models have emerged as a competitive alternative to the prevailing Autoregressive paradigm, they remain susceptible to this redundancy, with independent samples frequently collapsing into similar modes. To address this, we propose a training free, low cost intervention to enhance generative diversity in Diffusion Language Models. Our approach modifies intermediate samples in a batch sequentially, where each sample is repelled from the feature space of previous samples, actively penalising redundancy. Unlike prior methods that require retraining or beam search, our strategy incurs negligible computational overhead, while ensuring that each sample contributes a unique perspective to the batch. We evaluate our method on the HumanEval and GSM8K benchmarks using the LLaDA-8B-Instruct model. Our results demonstrate significantly improved diversity and Pass@$k$ performance across various temperature settings. As a simple modification to the sampling process, our method offers an immediate, low-cost improvement for current and future Diffusion Language Models in tasks that benefit from diverse solution search. We make our code available at https://github.com/sean-lamont/odd.

Diversity has been gaining interest in the NLP community in recent years. At the same time, state-of-the-art transformer models such as ModernBERT use very large pre-training datasets, which are driven by size rather than by diversity. This summons for an investigation of the impact of diversity on the ModernBERT pre-training. We do so in this study, with the express intent of reducing pre-training dataset size, while retaining at least comparable performance. We compare diversity-driven sampling algorithms, so as to pick the best one. We find that diversity-driven sampling allows in some tasks to gain 10 points relative to randomly-sampled pre-training data of commensurate size. We also see that a model pre-trained for 483h on a diversity-driven dataset of 150M tokens can yield a commensurate performance to a model pre-trained for 1,775h on a randomly-driven dataset of 2.4B tokens.

During deliberation processes, mediators and facilitators typically need to select a small and representative set of opinions later used to produce digestible reports for stakeholders. In online deliberation platforms, algorithmic selection is increasingly used to automate this process. However, such automation is not without consequences. For instance, enforcing consensus-seeking algorithmic strategies can imply ignoring or flattening conflicting preferences, which may lead to erasing minority voices and reducing content diversity. More generally, across the variety of existing selection strategies (e.g., consensus, diversity), it remains unclear how each approach influences desired democratic criteria such as proportional representation. To address this gap, we benchmark several algorithmic approaches in this context. We also build on social choice theory to propose a novel algorithm that incorporates both diversity and a balanced notion of representation in the selection strategy. We find empirically that while no single strategy dominates across all democratic desiderata, our social-choice-inspired selection rule achieves the strongest trade-off between proportional representation and diversity.