Supervised Fine-tuning with Synthetic Rationale Data Hurts Real-World Disease Prediction

Supervised fine-tuning with synthetic rationale data is widely assumed to improve language model performance on clinical prediction tasks by teaching models not just what to predict but why. We test this assumption on five-year Alzheimer's disease and related dementias (ADRD) prediction from longitudinal health histories. Across a large-scale controlled experiment of 504 configurations, we find that rationale-based SFT consistently and substantially hurts prediction performance relative to label-only fine-tuning. The degradation persists across model families and data scales, and is not resolved by using a reasoning-oriented base model. Crucially, the failure is not explained by poor rationale quality: human expert annotation confirms that the generated rationales are medically accurate and faithfully grounded in patient-specific evidence, and few-shot experiments show that the same rationales improve performance when used as inference-time demonstrations rather than training targets. We identify the root cause as a structural conflict between narrative plausibility and discriminative optimization. We hope our work paves the path toward a more precise understanding of when and how rationale-based supervision helps and when it does not, guiding the responsible development of language models for high-stakes clinical prediction.

Dynamic Infilling Anchors for Format-Constrained Generation in Diffusion Large Language Models

Diffusion large language models (dLLMs) offer bidirectional attention and parallel generation, enabling them to exploit global context and naturally support format-constrained tasks like parseable JSON or reasoning templates. While straightforward fixed anchors can enforce such constraints, they often impose rigid spans, leading to truncated reasoning or redundant content. To overcome this, we propose Dynamic Infilling Anchors (DIA), a training-free method that dynamically estimates end-anchor positions to adjust generation length before iterative infilling. This flexible mechanism ensures structural correctness and semantic coherence, avoiding the inefficiencies of fixed-span methods. Experiments on reasoning benchmarks demonstrate that DIA substantially improves format compliance and answer accuracy, achieving significant zero-shot gains on GSM8K and MATH. These results establish DIA as a robust pathway toward reliable, structure-aware generation.

GeoSVG-RL: Geometry-Aware Reinforcement Learning for Layout-Constrained Text-to-SVG Diagram Generation

Generating structured, editable diagrams remains a significant challenge for contemporary large language models, despite their proficiency in general-purpose vector code generation. The primary difficulty lies in the structural fragility of the output; minor errors such as misaligned connector endpoints, text labels overlapping borders, or complex layouts drifting beyond the canvas boundaries render the resulting SVG files functionally unusable for professional applications. To address these issues, we introduce GeoSVG-RL, a specialized reinforcement learning framework designed for layout-constrained text-to-SVG generation. Unlike standard training objectives that rely solely on maximizing token-level likelihood, our approach optimizes the policy against explicit, executable geometric feedback. The model first produces a structured layout plan that serves as a geometric contract for the subsequent generation of the SVG code. This code is then rendered through a browser-backed verifier, enabling the calculation of fine-grained rewards across six critical dimensions: rendering validity, canvas fitting, precise anchor placement, text containment, graph consistency, and code cleanliness. We utilize Group Relative Policy Optimization (GRPO) to refine the model, sampling multiple candidates per prompt to facilitate updates based on relative quality. Starting from a supervised warm-start phase on synthetic data, GeoSVG-RL achieves substantial gains in structural reliability, particularly in arrow-anchor accuracy and text-in-box rates. Quantitative evaluations demonstrate that our method consistently outperforms current state-of-the-art systems in local geometric precision and the preservation of graph connectivity, providing a robust pathway toward automated yet reliable technical illustration.

Head Forcing: Long Autoregressive Video Generation via Head Heterogeneity

Autoregressive video diffusion models support real-time synthesis but suffer from error accumulation and context loss over long horizons. We discover that attention heads in AR video diffusion transformers serve functionally distinct roles as local heads for detail refinement, anchor heads for structural stabilization, and memory heads for long-range context aggregation, yet existing methods treat them uniformly, leading to suboptimal KV cache allocation. We propose Head Forcing, a training-free framework that assigns each head type a tailored KV cache strategy: local and anchor heads retain only essential tokens, while memory heads employ a hierarchical memory system with dynamic episodic updates for long-range consistency. A head-wise RoPE re-encoding scheme further ensures positional encodings remain within the pretrained range. Without additional training, Head Forcing extends generation from 5 seconds to minute-level duration, supports multi-prompt interactive synthesis, and consistently outperforms existing baselines. Project Page: https://jiahaotian-sjtu.github.io/headforcing.github.io/.

Structure-Aware Variational Learning of a Class of Generalized Diffusions

Learning the underlying potential energy of stochastic gradient systems from partial and noisy observations is a fundamental problem arising in physics, chemistry, and data-driven modeling. Classical approaches often rely on direct regression of governing equations or velocity fields, which can be sensitive to noise and external perturbations and may fail when observations are incomplete. In this work, we propose a structure-aware, energy-based learning framework for inferring unknown potential functions in generalized diffusion processes, grounded in the energetic variational approach. Starting from the energy-dissipation law associated with the Fokker-Planck equation, we construct loss functions based on the De Giorgi dissipation functional, which consistently couple the free energy and the dissipation mechanism of the system. This formulation avoids explicit enforcement of the governing partial differential equation and preserves the underlying variational structure of the dynamics. Through numerical experiments in one, two, and three dimensions, we demonstrate that the proposed energy-based loss exhibits enhanced robustness with respect to observation time, noise level, and the diversity and amount of available training data. These results highlight the effectiveness of energy-dissipation principles as a reliable foundation for learning stochastic diffusion dynamics from data.

How Creative Are Large Language Models in Generating Molecules?

Molecule generation requires satisfying multiple chemical and biological constraints while searching a large and structured chemical space. This makes it a non-binary problem, where effective models must identify non-obvious solutions under constraints while maintaining exploration to improve success by escaping local optima. From this perspective, creativity is a functional requirement in molecular generation rather than an aesthetic notion. Large language models (LLMs) can generate molecular representations directly from natural language prompts, but it remains unclear what type of creativity they exhibit in this setting and how it should be evaluated. In this work, we study the creative behavior of LLMs in molecular generation through a systematic empirical evaluation across physicochemical, ADMET, and biological activity tasks. We characterize creativity along two complementary dimensions, convergent creativity and divergent creativity, and analyze how different factors shape these behaviors. Our results indicate that LLMs exhibit distinct patterns of creative behavior in molecule generation, such as an increase in constraint satisfaction when additional constraints are imposed. Overall, our work is the first to reframe the abilities required for molecule generation as creativity, providing a systematic understanding of creativity in LLM-based molecular generation and clarifying the appropriate use of LLMs in molecular discovery pipelines.

VideoStir: Understanding Long Videos via Spatio-Temporally Structured and Intent-Aware RAG

Scaling multimodal large language models (MLLMs) to long videos is constrained by limited context windows. While retrieval-augmented generation (RAG) is a promising remedy by organizing query-relevant visual evidence into a compact context, most existing methods (i) flatten videos into independent segments, breaking their inherent spatio-temporal structure, and (ii) depend on explicit semantic matching, which can miss cues that are implicitly relevant to the query's intent. To overcome these limitations, we propose VideoStir, a structured and intent-aware long-video RAG framework. It firstly structures a video as a spatio-temporal graph at clip level, and then performs multi-hop retrieval to aggregate evidence across distant yet contextually related events. Furthermore, it introduces an MLLM-backed intent-relevance scorer that retrieves frames based on their alignment with the query's reasoning intent. To support this capability, we curate IR-600K, a large-scale dataset tailored for learning frame-query intent alignment. Experiments show that VideoStir is competitive with state-of-the-art baselines without relying on auxiliary information, highlighting the promise of shifting long-video RAG from flattened semantic matching to structured, intent-aware reasoning. Codes and checkpoints are available at Github.

Hierarchical, Interpretable, Label-Free Concept Bottleneck Model

Concept Bottleneck Models (CBMs) introduce interpretability to black-box deep learning models by predicting labels through human-understandable concepts. However, unlike humans, who identify objects at different levels of abstraction using both general and specific features, existing CBMs operate at a single semantic level in both concept and label space. We propose HIL-CBM, a Hierarchical Interpretable Label-Free Concept Bottleneck Model that extends CBMs into a hierarchical framework to enhance interpretability by more closely mirroring the human cognitive process. HIL-CBM enables classification and explanation across multiple semantic levels without requiring relational concept annotations. HIL-CBM aligns the abstraction level of concept-based explanations with that of model predictions, progressing from abstract to concrete. This is achieved by (i) introducing a gradient-based visual consistency loss that encourages abstraction layers to focus on similar spatial regions, and (ii) training dual classification heads, each operating on feature concepts at different abstraction levels. Experiments on benchmark datasets demonstrate that HIL-CBM outperforms state-of-the-art sparse CBMs in classification accuracy. Human evaluations further show that HIL-CBM provides more interpretable and accurate explanations, while maintaining a hierarchical and label-free approach to feature concepts.

Finding Distributed Object-Centric Properties in Self-Supervised Transformers

Self-supervised Vision Transformers (ViTs) like DINO show an emergent ability to discover objects, typically observed in [CLS] token attention maps of the final layer. However, these maps often contain spurious activations resulting in poor localization of objects. This is because the [CLS] token, trained on an image-level objective, summarizes the entire image instead of focusing on objects. This aggregation dilutes the object-centric information existing in the local, patch-level interactions. We analyze this by computing inter-patch similarity using patch-level attention components (query, key, and value) across all layers. We find that: (1) Object-centric properties are encoded in the similarity maps derived from all three components ($q, k, v$), unlike prior work that uses only key features or the [CLS] token. (2) This object-centric information is distributed across the network, not just confined to the final layer. Based on these insights, we introduce Object-DINO, a training-free method that extracts this distributed object-centric information. Object-DINO clusters attention heads across all layers based on the similarities of their patches and automatically identifies the object-centric cluster corresponding to all objects. We demonstrate Object-DINO's effectiveness on two applications: enhancing unsupervised object discovery (+3.6 to +12.4 CorLoc gains) and mitigating object hallucination in Multimodal Large Language Models by providing visual grounding. Our results demonstrate that using this distributed object-centric information improves downstream tasks without additional training.

HighlightBench: Benchmarking Markup-Driven Table Reasoning in Scientific Documents

Visual markups such as highlights, underlines, and bold text are common in table-centric documents. Although multimodal large language models (MLLMs) have made substantial progress in document understanding, their ability to treat such cues as explicit logical directives remains under-explored. More importantly, existing evaluations cannot distinguish whether a model fails to see the markup or fails to reason with it. This creates a key blind spot in assessing markup-conditioned behavior over tables. To address this gap, we introduce HighlightBench, a diagnostic benchmark for markup-driven table understanding that decomposes evaluation into five task families: Markup Grounding, Constrained Retrieval, Local Relations, Aggregation \& Comparison, and Consistency \& Missingness. We further provide a reference pipeline that makes intermediate decisions explicit, enabling reproducible baselines and finer-grained attribution of errors along the perception-to-execution chain. Experiments show that even strong models remain unstable when visual cues must be consistently aligned with symbolic reasoning under structured output constraints.