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Dianbo Liu

Publications and source records attributed to Dianbo Liu.

At least 37 records · Page 2Linked to original sources
arXiv2026

Emergent Hierarchical Monosemantic Neurons from the Group-Contrastive Forward-Forward Algorithm

Mechanistic interpretability has made significant strides in understanding neural network representations, with sparse dictionary learning (SDL) methods, most prominently sparse autoencoders, as a central paradigm. However, recent work has reported several limitations of this paradigm: SDL objectives are non-identifiable; SDL methods rely heavily on the Linear Representation Hypothesis; and a growing body of evidence points to concepts that are encoded non-linearly and are therefore not expressible as any single direction. We hypothesise that a different route to monosemanticity is available. Biological visual systems exhibit highly selective neurons organised into hierarchies of increasing abstraction, and this organisation emerges from local, layer-wise learning rules rather than from a global error signal; we therefore ask whether a biologically plausible learning algorithm will likewise yield monosemantic neurons. To test this, we propose Group-Contrastive Forward-Forward (GCFF), a forward-forward training algorithm that combines class-specific routing with within-class contrastive objectives, reaching monosemanticity through architectural constraints rather than sparsity. Because GCFF attaches multiple non-linear layers to the representation under study, its neurons can therefore capture the non-linear concepts. On CLIP representations, a single trained GCFF module recovers monosemantic neurons whose abstraction increases progressively with depth, reaching environmental properties that hold independently of an image's foreground, without any sparsity constraint or supervision of abstraction level. We further demonstrate that GCFF can train networks from scratch, achieving state-of-the-art performance among forward-forward algorithms on various image classification benchmarks.

cs.CV↗
arXiv2026

Bridging Mechanistic Interpretability and Prompt Engineering with Gradient Ascent for Interpretable Persona Control

Controlling emergent behavioral personas (e.g., sycophancy, hallucination) in Large Language Models (LLMs) is critical for AI safety, yet remains a persistent challenge. Existing solutions face a dilemma: manual prompt engineering is intuitive but unscalable and imprecise, while automatic optimization methods are effective but operate as "black boxes" with no interpretable connection to model internals. We propose a novel framework that adapts gradient ascent to LLMs, enabling targeted prompt discovery. In specific, we propose two methods, RESGA and SAEGA, that both optimize randomly initialized prompts to achieve better aligned representation with an identified persona direction. We introduce fluent gradient ascent to control the fluency of discovered persona steering prompts. We demonstrate RESGA and SAEGA's effectiveness across Llama 3.1, Qwen 2.5, and Gemma 3 for steering three different personas, sycophancy, hallucination, and myopic reward. Crucially, on sycophancy, our automatically discovered prompts achieve significant improvement (49.90% compared with 79.24%). By grounding prompt discovery in mechanistically meaningful features, our method offers a new paradigm for controllable and interpretable behavior modification. We release our scripts for RESGA and SAEGA in this github repo: https://github.com/HarshSaini10/RESGA_SAEGA.

cs.LG↗
arXiv2026

When Language Overwrites Vision: Over-Alignment and Geometric Debiasing in Vision-Language Models

Vision-Language Models (VLMs) increasingly power high-stakes applications, from medical imaging to autonomous systems, yet they routinely hallucinate, confidently describing content not present in the input. We investigate the root causes of these failure modes with a mechanistic analysis focusing on the decoder-based VLMs. We trace these failure modes to a geometric over-alignment: to bridge the modality gap required by attention mechanisms, decoder-based VLMs over-align visual embeddings with the text manifold, injecting a statistical linguistic bias that systematically overshadows fine-grained visual evidence. While prior work either aggressively closes this gap or suppresses hallucinations through expensive black-box decoding strategies, none addresses the underlying geometric cause. We provide the first quantitative characterization of this over-alignment, demonstrating that linguistic bias concentrates in the top principal components of a universal, dataset-agnostic text subspace. Building on this insight, we propose two complementary remedies: a training-free inference strategy and a bias-aware fine-tuning paradigm, both of which explicitly project out this subspace from visual representations. Our methods significantly reduce hallucinations across POPE, CHAIR, and AMBER benchmarks, and improve CLAIR scores on long-form captioning tasks, with the training-free variant adding no computational overhead over the base model.

cs.CV↗
arXiv2026

Explore-Execute Chain: Towards an Efficient Structured Reasoning Paradigm

Many LLMs plan before they act, yet planning and execution are often still entangled in one long generation trace, enforced only through prompts, or split across separate components. We argue that these two stages call for different computation: planning benefits from diversity and breadth, whereas execution demands precision and faithful adherence to a chosen strategy. Treating them as a single undifferentiated chain wastes tokens on routine derivation and makes it costly to explore alternative strategies at test time. We present the \textbf{Explore-Execute Chain (E\textsuperscript{2}C)}, which keeps both stages in one model but separates them structurally: a stochastic \textit{Exploration} phase drafts a concise high-level plan, and a deterministic \textit{Execution} phase carries it out. Causal SFT and RL train this split so that exploration stays informative and execution remains plan-faithful. Once plans are short yet decisive, extra inference compute can be directed to exploration rather than to repeatedly decoding full solutions. On AIME'2024 at $K{=}32$, \textbf{E\textsuperscript{2}C-ReAct Loop} reaches 53.3\% accuracy with only 12.4k tokens, outperforming Tree-of-Thoughts ($N{=}32$: 50.0\%, 71.3k). The same structure also supports lightweight domain adaptation: \textbf{Exploration-Focused SFT (EF-SFT)} updates only the planning phase, uses 3.5\% of the tokens required by standard SFT, and improves medical benchmark accuracy by up to 14.5\%.

cs.LG↗
arXiv2026

Compositionality Emerges in a Narrow Depth-Connectivity Regime: Architecture Constraints and Solution Manifolds

Compositionality is believed to be the foundation for generalization, enabling models to reuse meaningful primitives in novel combinations. Yet, models trained with standard gradient-based optimization rarely, and often only weakly, exhibit compositional internal structure, and it remains unclear how or why such compositionality forms. In this work, we show that compositionality emerges in a narrow connectivity-depth sweet spot. Along the connectivity axis, compositionality only appears in some specifically sparse networks, heavily depends on which connections remain rather than on weights' sparsity alone. Along the depth axis, compositionality emerges within a narrow, target-dependent regime, peaking at specific depths, while both shallower and deeper networks fail. When either the depth or connectivity condition is violated, gradient descent silently converges to fractured solutions rather than compositional ones. To discover and exploit this emergence, we introduce (i) similarity-based pruning (SP) to recover compositional connectivity and (ii) a heuristic depth predictor to estimate where compositionality is most likely to appear. Finally, we support these empirical findings with a theoretical framework based on compositional sparsity, volume-ratio arguments, and feature-interference bounds, explaining why compositional solutions are reachable only in a narrow depth-connectivity regime.

cs.LG↗
arXiv2026

Initialization is Half the Battle: Generating Diverse Images from a Guidance Potential Posterior

Despite the remarkable fidelity of generative models, they frequently suffer from mode collapse. Existing strategies for enhancing diversity predominantly focus on intervening during the generation trajectory. We identify a critical oversight that the standard Gaussian initialization often causes trajectories to collapse into dominant modes because it is agnostic to the guidance potential landscape. In this work, we formulate selecting the initial noise from a guidance potential posterior, which effectively re-weights the prior towards diversity-rich regions. To sample from this distribution efficiently, we introduce Diversity-inducing Initialization (DivIn), which leverages Langevin dynamics to actively navigate the initialization landscape, steering initial noise away from collapsing regions while anchoring them to the valid data manifold. Our method serves as an inference-time diversity enhancement compatible with both diffusion and flow matching models. Extensive experiments show that DivIn exhibits a superior performance in both class-to-image and text-to-image scenarios. Furthermore, we highlight that as DivIn is orthogonal to trajectory-based methods, combining them significantly expands the diversity-quality Pareto frontier beyond what either achieves in isolation.

cs.CV↗
arXiv2026

Auto-Discovery-Bench: Diagnosing Structured State Tracking in Oracle-Guided Discovery

Interactive discovery requires agents to maintain and update structured beliefs over many rounds of feedback. Before evaluating agents in noisy, open-ended scientific environments, it is useful to isolate this prerequisite capability under controlled conditions. We introduce Auto-Discovery-Bench, a deterministic oracle-guided diagnostic benchmark in which agents recover hidden structures through repeated hypothesis--intervention--feedback cycles. The benchmark instantiates three controlled discovery abstractions: directed graph discovery, undirected relational discovery, and symbolic equation discovery. Across models, performance degrades as the number of variables, trajectory length, and distractors increase. A separate trajectory-tracking diagnostic shows that many failures persist even when intervention selection and hypothesis generation are removed, suggesting that limitations in maintaining and integrating long-range structured information are an important bottleneck for oracle-guided discovery. Auto-Discovery-Bench is not intended to replace realistic discovery environments; rather, it provides a reproducible, low-confound diagnostic testbed for isolating a prerequisite capability for interactive scientific agents.

cs.LG↗
arXiv2026

HypoSpace: A Diagnostic Benchmark for Set-Valued Hypothesis Generation under Underdetermination and Sublinear Coverage Bounds

Many scientific problems are underdetermined: multiple distinct hypotheses are equally consistent with the same observations. In such settings, effective inference requires not only producing valid explanations, but also systematically exploring and covering the admissible hypothesis set. We introduce HypoSpace, a benchmark that treats large language models (LLMs) as samplers over finite hypothesis spaces and evaluates them on three metrics: Validity, Uniqueness, and Recovery. HypoSpace spans three structured domains (causal graph inference, gravity-constrained 3D voxel reconstruction, and Boolean genetic interaction modeling) with deterministic validators and exactly enumerable solution spaces, plus real-world anchored case studies. Empirically, HypoSpace reveals a capability- and scale-dependent coverage failure: models can maintain high Validity while exhibiting reduced Uniqueness and Recovery as admissible hypothesis spaces become larger or more combinatorial. We further show that the analysis on stratified decoding partially mitigates this collapse, demonstrating HypoSpace's utility as a diagnostic benchmark for set-valued inference. Code is available at: https://github.com/CTT-Pavilion/_HypoSpace.

cs.CL↗
arXiv2026

FML-bench: A Controlled Study of AI Research Agent Strategies from the Perspective of Search Dynamics

AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which strategy choices drive performance remains unclear. Answering this question requires a benchmark that separates agent strategy (e.g., search topology) from execution infrastructure (e.g., code editor), so that performance differences are attributable to strategy rather than infrastructure, and that provides process-level metrics beyond final scores to analyze exploration behaviors. Existing benchmarks offer limited support. We propose FML-Bench, a benchmark of 18 fundamental ML research tasks across 10 domains that separates agent strategy from execution infrastructure and defines 12 process-level behavioral metrics. Evaluating six representative agents, we find that: (1) strategy complexity alone does not guarantee strong performance: a simple greedy hill-climber nearly matches the best-performing tree-search agent, both well above the remaining agents; (2) our analysis suggests this pattern relates to improvement opportunity structure: greedy search tends to be more effective when opportunities are dense, while tree-search and evolutionary strategies tend to be more effective when opportunities are sparse; an adaptive agent built on this insight switches to broader exploration upon detecting improvement stagnation and outperforms the other six agents, lending initial support to this observation; and (3) process-level analysis reveals that early convergence and directionally focused exploration are significantly associated with final performance, while solution diversity and compute cost are not. Our benchmark is available at: https://github.com/qrzou/FML-bench.

cs.LG↗
arXiv2026

Quotient DAGs for Off-Policy Evaluation:Forward-Flow Importance Sampling and Exact Slate Propensities

Off-policy evaluation estimates how a target policy would perform using data collected by a different behavior policy, which is crucial when online testing is costly or risky, such as in recommendation or healthcare. Standard importance sampling reweights each logged trajectory, but it can treat details of the generation process as meaningful even when the evaluation target ignores them: for example, an autoregressive slate recommender may generate an ordered sequence of items while the reward and downstream estimator depend only on the unordered slate. This creates nuisance variance and a computational gap, since exact unordered slate propensities require summing over all generation orders. We introduce a quotient-DAG view that merges histories equivalent for evaluation and assigns weights using target-to-behavior forward-flow ratios on the merged graph. For slate recommendation under a set-sufficient next-item interface, this yields Forward-DP, a subset-DAG dynamic program that computes exact unordered propensities without factorial enumeration. The resulting propensity primitive enables practical propensity-based evaluation and model selection for context-dependent autoregressive slate loggers.

cs.LG↗
arXiv2026

CXR-LanIC: Language-Grounded Interpretable Classifier for Chest X-Ray Diagnosis

Deep learning models have achieved remarkable accuracy in chest X-ray diagnosis, yet their widespread clinical adoption remains limited by the black-box nature of their predictions. Clinicians require transparent, verifiable explanations to trust automated diagnoses and identify potential failure modes. We introduce CXR-LanIC (Language-Grounded Interpretable Classifier for Chest X-rays), a novel framework that addresses this interpretability challenge through task-aligned pattern discovery. Our approach trains transcoder-based sparse autoencoders on a BiomedCLIP diagnostic classifier to decompose medical image representations into interpretable visual patterns. By training an ensemble of 100 transcoders on multimodal embeddings from the MIMIC-CXR dataset, we discover approximately 5,000 monosemantic patterns spanning cardiac, pulmonary, pleural, structural, device, and artifact categories. Each pattern exhibits consistent activation behavior across images sharing specific radiological features, enabling transparent attribution where predictions decompose into 20-50 interpretable patterns with verifiable activation galleries. CXR-LanIC achieves competitive diagnostic accuracy on five key findings while providing the foundation for natural language explanations through planned large multimodal model annotation. Our key innovation lies in extracting interpretable features from a classifier trained on specific diagnostic objectives rather than general-purpose embeddings, ensuring discovered patterns are directly relevant to clinical decision-making, demonstrating that medical AI systems can be both accurate and interpretable, supporting safer clinical deployment through transparent, clinically grounded explanations.

cs.CV↗
arXiv2026

JEDI: Joint Embedding Diffusion World Model for Online Model-Based Reinforcement Learning

Diffusion world models have recently become competitive for online model-based reinforcement learning, but current approaches expose a tension: pixel diffusion is effective but computationally expensive while the latest latent diffusion approach improves efficiency yet performs subpar. The latter also relies on separately trained latents rather than the end-to-end world-model objectives that have driven much of modern MBRL progress. In particular, JEPA-style predictive representation learning has emerged as an especially promising direction for world modeling and MBRL. Concurrently, diffusion-style objectives have gained traction across multiple domains, with iterative refinement as a promising approach for multimodal and stochastic targets. Taken together, these trends motivate Joint Embedding DIffusion (JEDI), the first online end-to-end latent diffusion world model. JEDI learns its latent space directly from the diffusion denoising loss with a JEPA framework, using denoising to learn and predict future latents rather than relying on reconstruction and pretrained models. We provide a theoretical motivation showing that conventional JEPA objectives induce a predictive information bottleneck, and that conditional diffusion denoising admits a closely related predictive-compression decomposition. Empirically, JEDI is competitive on Atari100k and outperforms the baseline with seperately trained latents where directly comparable. Relative to the pixel diffusion baseline, JEDI uses 43% less VRAM, over 3$\times$ faster world-model sampling, and 2.5$\times$ faster training. JEDI also exhibits a markedly different task-level performance profile from the pixel baseline, suggesting that end-to-end predictive latents change more than compute alone.

cs.LG↗
arXiv2026

Absurd World: A Simple Yet Powerful Method to Absurdify the Real-world for Probing LLM Reasoning Capabilities

While extremely powerful and versatile at various tasks, the thinking capabilities of large language models (LLMs) are often put under scrutiny as they sometimes fail to solve problems that humans can systematically solve. However, recent literature focuses on breaking LLM reasoning with increasingly complex problems, and whether an LLM is robust in simple logical reasoning remains underexplored. This paper proposes Absurd World, a benchmarking framework, to test LLMs against altered realism, where scenarios are logically coherent, and humans can easily solve the tasks. Absurd World breaks a real-world model into symbols, actions, sequences, and events, which are automatically altered to create absurd worlds where the logic to solve the tasks remains the same. It evaluates a large collection of models with simple and advanced prompting techniques, and proves that it is an effective tool to determine LLMs' ability to think logically, ignoring the patterns learned from the real world. One can use this framework to extensively test an LLM against a real-world problem to verify whether the LLM's reasoning capability is robust against variations of the task.

cs.AI↗
arXiv2026

Resolving the bias-precision paradox with stochastic causal representation learning for personalized medicine

Estimating individualized treatment effects from longitudinal observational data is central to data-driven medicine, yet existing methods face a fundamental limitation: reducing confounding bias often suppresses clinically informative heterogeneity, degrading patient-specific predictions. Here, we identify this tension as a bias-precision paradox in causal representation learning and introduce sampling-based maximum mean discrepancy (sMMD), a stochastic alignment strategy that replaces global adversarial balancing with subset-level matching. We instantiate this approach in a framework for counterfactual outcome prediction with attribution-grounded interpretability. Across two large-scale ICU cohorts (n = 27,783), our framework improves accuracy under distribution shift, reducing error by up to 11.5% and substantially increasing recall in high-risk tasks. Mechanistic analyses show that sMMD selectively preserves clinically decisive variables. In human-AI evaluation, our method outperforms clinicians-in-training and large language models, and improves clinician accuracy by 14.7% while reducing decision time, enabling interpretable, real-time clinical decision support.

cs.AI↗
arXiv2026

A Unified Theory of Sparse Dictionary Learning in Mechanistic Interpretability: Piecewise Biconvexity and Spurious Minima

As AI models achieve remarkable capabilities across diverse domains, understanding what representations they learn and how they encode concepts has become increasingly important for both scientific progress and trustworthy deployment. Recent works in mechanistic interpretability have widely reported that neural networks represent meaningful concepts as linear directions in their representation spaces and often encode diverse concepts in superposition. Various sparse dictionary learning (SDL) methods, including sparse autoencoders, transcoders, and crosscoders, are utilized to address this by training auxiliary models with sparsity constraints to disentangle these superposed concepts into monosemantic features. These methods are the backbone of modern mechanistic interpretability, yet in practice they consistently produce polysemantic features, feature absorption, and dead neurons, with very limited theoretical understanding of why these phenomena occur. Existing theoretical work is limited to tied-weight sparse autoencoders, leaving the broader family of SDL methods without formal grounding. We develop the first unified theoretical framework that casts all major SDL variants as a single piecewise biconvex optimization problem, and characterize its global solution set, non-identifiability, and spurious optima. This analysis yields principled explanations for feature absorption and dead neurons. To expose these pathologies under full ground-truth access, we introduce the Linear Representation Bench. Guided by our theory, we propose feature anchoring, a novel technique that restores SDL identifiability, substantially improving feature recovery across synthetic benchmarks and real neural representations.

cs.LG↗
arXiv2026

Human-like Content Analysis for Generative AI with Language-Grounded Sparse Encoders

The rapid development of generative AI has transformed content creation, communication, and human development. However, this technology raises profound concerns in high-stakes domains, demanding rigorous methods to analyze and evaluate AI-generated content. While existing analytic methods often treat images as indivisible wholes, real-world AI failures generally manifest as specific visual patterns that can evade holistic detection and suit more granular and decomposed analysis. Here we introduce a content analysis tool, Language-Grounded Sparse Encoders (LanSE), which decompose images into interpretable visual patterns with natural language descriptions. Utilizing interpretability modules and large multimodal models, LanSE can automatically identify visual patterns within data modalities. Our method discovers more than 5,000 visual patterns with 93\% human agreement, provides decomposed evaluation outperforming existing methods, establishes the first systematic evaluation of physical plausibility, and extends to medical imaging settings. Our method's capability to extract language-grounded patterns can be naturally adapted to numerous fields, including biology and geography, as well as other data modalities such as protein structures and time series, thereby advancing content analysis for generative AI.

cs.CV↗
arXiv2026

SOLAR: A Self-Optimizing Open-Ended Autonomous Agent for Lifelong Learning and Continual Adaptation

Despite the remarkable success of large language models (LLMs), they still face bottlenecks while deploying in dynamic, real-world settings with primary challenges being concept drift and the high cost of gradient-based adaptation. Traditional fine-tuning (FT) struggles to adapt to non-stationary data streams without resulting in catastrophic for getting or requiring extensive manual data curation. To address these limitations within the streaming and continual learning paradigm, we propose the Self-Optimizing Lifelong Autonomous Reasoner (SOLAR) which is an open-ended autonomous agent that leverages parameter-level meta-learning to self-improve, treating model weights as an environment for exploration. It initiates the process by consolidating a strong prior over common-sense knowledge making it effective for transfer-learning. By utilizing a multi-level reinforcement learning approach, SOLAR autonomously discovers adaptation strategies, enabling efficient test-time adaptation to unseen domains. Crucially, SOLAR maintains an evolving knowledge base of valid modification strategies, implicitly acting as an episodic memory buffer to balance plasticity (adaptation to new tasks) and stability (retention of meta-knowledge). Experiments demonstrate that SOLAR outperforms strong baselines on common-sense, mathematical, medical, coding, social and logical reasoning tasks, marking a significant step toward autonomous agents capable of lifelong adaptation in evolving environments.

cs.AI↗
arXiv2026

VQKV: High-Fidelity and High-Ratio Cache Compression via Vector-Quantization

The growing context length of Large Language Models (LLMs) enlarges the Key-Value (KV) cache, limiting deployment in resource-limited environments. Prior training-free approaches for KV cache compression typically rely on low-rank approximation or scalar quantization, which fail to simultaneously achieve high compression ratios and high reconstruction fidelity. We propose VQKV, a novel, training-free method introducing vector quantization (VQ) to obtain highly compressed KV representations while preserving high model fidelity, allowing for the representation of thousands of floating-point values with just a few integer indices. As a result, VQKV achieves an 82.8\% compression ratio on LLaMA3.1-8B while retaining 98.6\% of the baseline performance on LongBench and enabling 4.3x longer generation length on the same memory footprint.

cs.CL↗