Beneath the Diff: Diagnosing and Mitigating Algorithmic Mode Collapse in Code-Level Autonomous Research Loops

Code-level autonomous research loops (ARLs) have recently emerged as a concrete object of study in automated machine learning research. In such loops, an LLM agent proposes modifications to an experimental training pipeline, executes the modified pipeline, and retains edits that improve a verifiable in-loop metric. Although executable metrics may appear to provide a reliable signal of progress, it remains unclear whether repeated metric-driven code editing leads to genuine improvements that generalize beyond the loop. We provide a systematic diagnosis of this question. Across various experiment settings, we identify a robust failure mode that we call \textbf{algorithmic mode collapse}. In this regime, surface-level edit diversity remains stable, but semantic and mechanism-level diversity collapse: the agent continues to edit different lines of code while repeatedly proposing the same kinds of algorithmic changes. This collapse is accompanied by a widening gap between in-loop metric gains and gains measured on independent held-out evaluations. We then propose Diversity-Aware Proposal Sampling (\textsc{DAPS}), a lightweight mitigation that combines category-coverage reweighting, persistent edit memory, and a validation gate. Under a three-tier protocol separating the in-loop metric, the audit metric read by the gate, and a blind metric no loop component ever accesses, \textsc{DAPS} reduces semantic-cluster decay of edits by $69.1\%$ and improves relative faithfulness by $83.7\%$ blind and $81.6\%$ audited, while preserving in-loop optimization speed. We provide the code in Github \href{https://github.com/BokwaiHo/arl-mode-collapse}{repository}.

ReNFT: Repairing Mode Collapse in Reward Post-Training via Internal Probability-Mass Recalibration

Reward post-training of diffusion generators inevitably concentrates probability mass on a few reward-favored modes, a mode collapse that erases within-prompt diversity. Existing methods for mitigating collapse rely on external signals or interfaces, augmenting the reward with perceptual objectives, adjusting reference regularization, or modifying the text encoder, but none repairs an adapter that has already collapsed while preserving the acquired reward. We observe that online post-training primarily reallocates probability mass over capabilities inherited from pretraining rather than learning new visual content. Collapse is therefore suppression, not deletion, and can be reversed from within the generator. We propose ReNFT, which repairs a high-reward, low-diversity adapter through internal probability-mass recalibration. Unconditional probes first prioritize "anti-hub" prompts where the prompt-independent bias is easiest to expose. Two policy-dominated mixed routes then generate matched counterfactual proposals from the same prompt and initial noise, one probing the frozen base direction for suppressed alternatives and the other exposing the post-trained unconditional tendency. Reward ranking with an adaptive flipping guard assigns pull and push roles, and a joint-and-paired NFT update realizes the repair. On PickScore and GenEval, ReNFT retains 98.9% and 99.0% of NFT's reward while improving DreamSim-Div by 58.8% and 55.0%, respectively, offering a complementary alternative to external interventions.

Reward-guided Fine-Tuning of One-Step Generative Models via Wasserstein Gradient Flow

To mitigate the time complexity of generative models, one-step generative models have recently emerged through direct mapping from noise to data in a single forward pass. However, the reward-guided fine-tuning method of one-step generative models remains largely unexplored. To address this, we consider one-step generators from an optimal transport view, investigating Wasserstein Gradient Flow (WGF) for modeling smooth and controlled distributional evolution in probability space. We then propose a novel reward-guided fine-tuning of a one-step generative model via WGF. We derive a practical training method that requires no reward gradients, thereby handling both non-differentiable and differentiable rewards. Moreover, our method provides smooth and stable reward-guided distributional updates while mitigating reward hacking and mode collapse. Experiments on 2D synthetic data, CIFAR-10, and ImageNet 256$\times$256 with diverse rewards, including JPEG (in)compressibility, class probability, Black-and-White and CLIP alignment, show that our method achieves better reward alignment compared to baselines.

Diffusion models recover accurate mixture weights despite score function insensitivity

Score-based generative models exhibit a puzzling behavior: they often appear to cover all modes of a target multimodal distribution and yet may fail to learn the correct relative mode amplitudes, which can be interpreted as mixture weights. We resolve this apparent paradox by relating the diffusion score matching (DSM) loss to the error in estimating mixture weights from generated samples. We show that, even when the target score is insensitive to mixture weights, generated samples can recover the weights accurately if the scores at intermediate noise levels are informative about the weights. Accordingly, we define the diffusion score sensitivity index (DSSI) as the variation in the DSM loss relative to changes in a parameter. We then show that the DSSI governs the accuracy with which the parameter of the target distribution can be estimated from generated samples. For Gaussian mixtures in arbitrary dimensions, we prove that the mixture weight estimation errors are on the same order as the DSM loss under mild conditions. Empirically, we show the emergence of sensitivity during the noising process of benchmark data distributions under typical noise schedules, and that these sensitivity values predict how well a well-trained model recovers mixture weights. Furthermore, we show that the choice of noise schedule can reduce diffusion sensitivity, leading to mode amplification. Although we focus on mixture weights, the proposed sensitivity framework governs the recovery of any qualitative parameter of the target distribution.

Optimizing Visual Generative Models via Distribution-wise Rewards

Conventional reinforcement learning strategies for visual generation typically employ sample-wise reward functions, yet this practice frequently results in reward hacking that degrades image diversity and introduces visual anomalies. To address these limitations, we present a novel framework that finetunes generative models using distribution-wise rewards, ensuring better alignment with real-world data distributions. Unlike rewards that evaluate samples individually, distribution-wise reward accounts for the data distribution of the samples, mitigating the mode collapse problem that occurs when all samples optimize towards the same direction independently. To overcome the prohibitive computational cost of estimating these rewards, we introduce a subset-replace strategy that efficiently provides reward signals by updating only a small subset of a generated reference set. Additionally, we apply RL to optimize post-hoc model merging coefficients, potentially mitigating the train-inference inconsistency caused by introducing stochastic differential equation (SDE) in regular RL practices. Extensive experiments show our approach significantly improves FID-50K across various base models, from 8.30 to 5.77 for SiT and from 3.74 to 3.52 for EDM2. Qualitative evaluation also confirms that our method enhances perceptual quality while preserving sample diversity.

CreativityNeuro: Steering Language Model Weights to Improve Divergent Thinking and Reduce Mode Collapse

Divergent thinking is a crucial aspect of creativity, yet large language models (LLMs) tend to consistently generate similar responses to open-ended questions, in what has been termed the artificial hivemind effect. Here, we introduce CreativityNeuro, a data-free method for enhancing divergent thinking in LLMs via contrastive weight steering. We evaluate our method across multiple creativity assessments and report several main findings. On the Divergent Association Task (DAT), a vocabulary-space creativity test, CreativityNeuro improves performance by up to 14 human percentile points. Next, in a large-scale human evaluation (N=720) on the Alternative Uses Test (AUT) and the Task Task, CreativityNeuro achieves significant improvements in originality, surprise, and creativity, transferring to longer-form and more open-ended tasks. Importantly, we find that across all three tasks, CreativityNeuro demonstrably reduces measures of mode collapse. Moreover, activation steering achieves comparable performance to CreativityNeuro on the DAT, but it does not transfer to the AUT and Task Task, demonstrating the effectiveness of weight-space steering in generalizing to unseen tasks. In conclusion, CreativityNeuro improves divergent thinking and reduces mode collapse without requiring behavioral data, re-training, or gradient-based fine-tuning, providing a straightforward way to enhance LLM performance in creative domains.

Pigeonholing: Bad prompts hurt models to collapse and make mistakes

While in-context learning is generally shown to be effective in Large Language Models (LLMs), bad contexts can cause performance degradation and mode collapse, a phenomenon we call "pigeonholing." **Unintentionally bad** contexts can happen without malicious jailbreaking intents: For example, a user asks the model to justify an incorrect math theorem or fails to correct the model's buggy code. Specifically, we investigate ``pigeonholing" in two scenarios: (1) when the user suggests a solution, and (2) when the conversation context includes the assistant's previous (incorrect) responses. Our experiments across 10 verifiable and open-ended tasks with 10 different models show that pigeonholing manifests in several ways: (1) repeating the incorrect answers from context (leading to 38-40% performance drop), (2) converging on a narrow set of answers in coding and text generation without exploring alternatives, and (3) flipping stance on controversial topics to align with the user or the assistant's previous claims. We find that pigeonholing worsens almost monotonically with the number of conversation turns (performance drops by additional 14+% as repeated mistakes increase from 1 to 5), and pigeonholing-induced mode collapse can happen even when the provided example is correct. As a step toward mitigation, we propose RLVR with synthetic errors which improves models by 43-60% under bad contexts compared to vanilla RLVR baselines.