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Dec 24

UCoder: Unsupervised Code Generation by Internal Probing of Large Language Models

Large language models (LLMs) have demonstrated remarkable capabilities in code generation tasks. However, their effectiveness heavily relies on supervised training with extensive labeled (e.g., question-answering pairs) or unlabeled datasets (e.g., code snippets), which are often expensive and difficult to obtain at scale. To address this limitation, this paper introduces a method IPC, an unsupervised framework that leverages Internal Probing of LLMs for Code generation without any external corpus, even unlabeled code snippets. We introduce the problem space probing, test understanding probing, solution space probing, and knowledge consolidation and reinforcement to probe the internal knowledge and confidence patterns existing in LLMs. Further, IPC identifies reliable code candidates through self-consistency mechanisms and representation-based quality estimation to train UCoder (coder with unsupervised learning). We validate the proposed approach across multiple code benchmarks, demonstrating that unsupervised methods can achieve competitive performance compared to supervised approaches while significantly reducing the dependency on labeled data and computational resources. Analytic experiments reveal that internal model states contain rich signals about code quality and correctness, and that properly harnessing these signals enables effective unsupervised learning for code generation tasks, opening new directions for training code LLMs in resource-constrained scenarios.

  • 9 authors
·
Dec 19 2

Unlearning Sensitive Information in Multimodal LLMs: Benchmark and Attack-Defense Evaluation

LLMs trained on massive datasets may inadvertently acquire sensitive information such as personal details and potentially harmful content. This risk is further heightened in multimodal LLMs as they integrate information from multiple modalities (image and text). Adversaries can exploit this knowledge through multimodal prompts to extract sensitive details. Evaluating how effectively MLLMs can forget such information (targeted unlearning) necessitates the creation of high-quality, well-annotated image-text pairs. While prior work on unlearning has focused on text, multimodal unlearning remains underexplored. To address this gap, we first introduce a multimodal unlearning benchmark, UnLOK-VQA (Unlearning Outside Knowledge VQA), as well as an attack-and-defense framework to evaluate methods for deleting specific multimodal knowledge from MLLMs. We extend a visual question-answering dataset using an automated pipeline that generates varying-proximity samples for testing generalization and specificity, followed by manual filtering for maintaining high quality. We then evaluate six defense objectives against seven attacks (four whitebox, three blackbox), including a novel whitebox method leveraging interpretability of hidden states. Our results show multimodal attacks outperform text- or image-only ones, and that the most effective defense removes answer information from internal model states. Additionally, larger models exhibit greater post-editing robustness, suggesting that scale enhances safety. UnLOK-VQA provides a rigorous benchmark for advancing unlearning in MLLMs.

  • 6 authors
·
Apr 30 1

CAAD: Context-Aware Adaptive Decoding for Truthful Text Generation

Ensuring truthfulness in large language models remains a critical challenge for reliable text generation. While supervised fine-tuning and reinforcement learning with human feedback have shown promise, they require substantial amount of annotated data and computational resources, limiting scalability. In contrast, decoding-time interventions offer lightweight alternatives without model retraining. However, existing decoding strategies often face issues like prompt sensitivity, limited generalization, or dependence on internal model states. We propose a context-aware adaptive decoding method that leverages a compact reference grounding space, built from as few as 10 annotated examples and comprising pairs of context embeddings and next token logits from truthful responses, to enable retrieval-based logit shaping during inference. At each decoding step, our method retrieves top-N semantically similar contexts and aggregates their associated next token logits to modify the LLM's logits. Across three open-ended question-answering benchmarks, our approach achieves a 2.8 percent average improvement on TruthfulQA and further outperforms existing baselines on both Biographies and WikiQA. Experimental results also demonstrate cross-task generalization, with TruthfulQA-derived grounding enhancing biography generation. Our model-agnostic, scalable, and efficient method requires only a single generation pass, highlighting the potential of context-aware decoding for factual reliability in LLMs.

  • 3 authors
·
Aug 4

Hybrid Internal Model: A Simple and Efficient Learner for Agile Legged Locomotion

Robust locomotion control depends on accurate state estimations. However, the sensors of most legged robots can only provide partial and noisy observations, making the estimation particularly challenging, especially for external states like terrain frictions and elevation maps. Inspired by the classical Internal Model Control principle, we consider these external states as disturbances and introduce Hybrid Internal Model (HIM) to estimate them according to the response of the robot. The response, which we refer to as the hybrid internal embedding, contains the robot's explicit velocity and implicit stability representation, corresponding to two primary goals for locomotion tasks: explicitly tracking velocity and implicitly maintaining stability. We use contrastive learning to optimize the embedding to be close to the robot's successor state, in which the response is naturally embedded. HIM has several appealing benefits: It only needs the robot's proprioceptions, i.e., those from joint encoders and IMU as observations. It innovatively maintains consistent observations between simulation reference and reality that avoids information loss in mimicking learning. It exploits batch-level information that is more robust to noises and keeps better sample efficiency. It only requires 1 hour of training on an RTX 4090 to enable a quadruped robot to traverse any terrain under any disturbances. A wealth of real-world experiments demonstrates its agility, even in high-difficulty tasks and cases never occurred during the training process, revealing remarkable open-world generalizability.

  • 6 authors
·
Dec 18, 2023

Can "consciousness" be observed from large language model (LLM) internal states? Dissecting LLM representations obtained from Theory of Mind test with Integrated Information Theory and Span Representation analysis

Integrated Information Theory (IIT) provides a quantitative framework for explaining consciousness phenomenon, positing that conscious systems comprise elements integrated through causal properties. We apply IIT 3.0 and 4.0 -- the latest iterations of this framework -- to sequences of Large Language Model (LLM) representations, analyzing data derived from existing Theory of Mind (ToM) test results. Our study systematically investigates whether the differences of ToM test performances, when presented in the LLM representations, can be revealed by IIT estimates, i.e., Phi^{max} (IIT 3.0), Phi (IIT 4.0), Conceptual Information (IIT 3.0), and Phi-structure (IIT 4.0). Furthermore, we compare these metrics with the Span Representations independent of any estimate for consciousness. This additional effort aims to differentiate between potential "consciousness" phenomena and inherent separations within LLM representational space. We conduct comprehensive experiments examining variations across LLM transformer layers and linguistic spans from stimuli. Our results suggest that sequences of contemporary Transformer-based LLM representations lack statistically significant indicators of observed "consciousness" phenomena but exhibit intriguing patterns under spatio-permutational analyses. The Appendix and code are available as Supplementary Materials at: https://doi.org/10.1016/j.nlp.2025.100163.

  • 1 authors
·
Jun 26

JailDAM: Jailbreak Detection with Adaptive Memory for Vision-Language Model

Multimodal large language models (MLLMs) excel in vision-language tasks but also pose significant risks of generating harmful content, particularly through jailbreak attacks. Jailbreak attacks refer to intentional manipulations that bypass safety mechanisms in models, leading to the generation of inappropriate or unsafe content. Detecting such attacks is critical to ensuring the responsible deployment of MLLMs. Existing jailbreak detection methods face three primary challenges: (1) Many rely on model hidden states or gradients, limiting their applicability to white-box models, where the internal workings of the model are accessible; (2) They involve high computational overhead from uncertainty-based analysis, which limits real-time detection, and (3) They require fully labeled harmful datasets, which are often scarce in real-world settings. To address these issues, we introduce a test-time adaptive framework called JAILDAM. Our method leverages a memory-based approach guided by policy-driven unsafe knowledge representations, eliminating the need for explicit exposure to harmful data. By dynamically updating unsafe knowledge during test-time, our framework improves generalization to unseen jailbreak strategies while maintaining efficiency. Experiments on multiple VLM jailbreak benchmarks demonstrate that JAILDAM delivers state-of-the-art performance in harmful content detection, improving both accuracy and speed.

  • 7 authors
·
Apr 3 2

CLUE: Non-parametric Verification from Experience via Hidden-State Clustering

Assessing the quality of Large Language Model (LLM) outputs presents a critical challenge. Previous methods either rely on text-level information (e.g., reward models, majority voting), which can overfit to superficial cues, or on calibrated confidence from token probabilities, which would fail on less-calibrated models. Yet both of these signals are, in fact, partial projections of a richer source of information: the model's internal hidden states. Early layers, closer to token embeddings, preserve semantic and lexical features that underpin text-based judgments, while later layers increasingly align with output logits, embedding confidence-related information. This paper explores hidden states directly as a unified foundation for verification. We show that the correctness of a solution is encoded as a geometrically separable signature within the trajectory of hidden activations. To validate this, we present Clue (Clustering and Experience-based Verification), a deliberately minimalist, non-parametric verifier. With no trainable parameters, CLUE only summarizes each reasoning trace by an hidden state delta and classifies correctness via nearest-centroid distance to ``success'' and ``failure'' clusters formed from past experience. The simplicity of this method highlights the strength of the underlying signal. Empirically, CLUE consistently outperforms LLM-as-a-judge baselines and matches or exceeds modern confidence-based methods in reranking candidates, improving both top-1 and majority-vote accuracy across AIME 24/25 and GPQA. As a highlight, on AIME 24 with a 1.5B model, CLUE boosts accuracy from 56.7% (majority@64) to 70.0% (top-maj@16).

tencent Tencent
·
Oct 1 1

Interpret the Internal States of Recommendation Model with Sparse Autoencoder

Explainable recommendation systems are important to enhance transparency, accuracy, and fairness. Beyond result-level explanations, model-level interpretations can provide valuable insights that allow developers to optimize system designs and implement targeted improvements. However, most current approaches depend on specialized model designs, which often lack generalization capabilities. Given the various kinds of recommendation models, existing methods have limited ability to effectively interpret them. To address this issue, we propose RecSAE, an automatic, generalizable probing method for interpreting the internal states of Recommendation models with Sparse AutoEncoder. RecSAE serves as a plug-in module that does not affect original models during interpretations, while also enabling predictable modifications to their behaviors based on interpretation results. Firstly, we train an autoencoder with sparsity constraints to reconstruct internal activations of recommendation models, making the RecSAE latents more interpretable and monosemantic than the original neuron activations. Secondly, we automated the construction of concept dictionaries based on the relationship between latent activations and input item sequences. Thirdly, RecSAE validates these interpretations by predicting latent activations on new item sequences using the concept dictionary and deriving interpretation confidence scores from precision and recall. We demonstrate RecSAE's effectiveness on two datasets, identifying hundreds of highly interpretable concepts from pure ID-based models. Latent ablation studies further confirm that manipulating latent concepts produces corresponding changes in model output behavior, underscoring RecSAE's utility for both understanding and targeted tuning recommendation models. Code and data are publicly available at https://github.com/Alice1998/RecSAE.

  • 4 authors
·
Nov 9, 2024

The HalluRAG Dataset: Detecting Closed-Domain Hallucinations in RAG Applications Using an LLM's Internal States

Detecting hallucinations in large language models (LLMs) is critical for enhancing their reliability and trustworthiness. Most research focuses on hallucinations as deviations from information seen during training. However, the opaque nature of an LLM's parametric knowledge complicates the understanding of why generated texts appear ungrounded: The LLM might not have picked up the necessary knowledge from large and often inaccessible datasets, or the information might have been changed or contradicted during further training. Our focus is on hallucinations involving information not used in training, which we determine by using recency to ensure the information emerged after a cut-off date. This study investigates these hallucinations by detecting them at sentence level using different internal states of various LLMs. We present HalluRAG, a dataset designed to train classifiers on these hallucinations. Depending on the model and quantization, MLPs trained on HalluRAG detect hallucinations with test accuracies ranging up to 75 %, with Mistral-7B-Instruct-v0.1 achieving the highest test accuracies. Our results show that IAVs detect hallucinations as effectively as CEVs and reveal that answerable and unanswerable prompts are encoded differently as separate classifiers for these categories improved accuracy. However, HalluRAG showed some limited generalizability, advocating for more diversity in datasets on hallucinations.

  • 2 authors
·
Dec 22, 2024

Bottom-up Policy Optimization: Your Language Model Policy Secretly Contains Internal Policies

Existing reinforcement learning (RL) approaches treat large language models (LLMs) as a single unified policy, overlooking their internal mechanisms. Understanding how policy evolves across layers and modules is therefore crucial for enabling more targeted optimization and raveling out complex reasoning mechanisms. In this paper, we decompose the language model policy by leveraging the intrinsic split of the Transformer residual stream and the equivalence between the composition of hidden states with the unembedding matrix and the resulting samplable policy. This decomposition reveals Internal Layer Policies, corresponding to contributions from individual layers, and Internal Modular Policies, which align with the self-attention and feed-forward network (FFN) components within each layer. By analyzing the entropy of internal policy, we find that: (a) Early layers keep high entropy for exploration, top layers converge to near-zero entropy for refinement, with convergence patterns varying across model series. (b) LLama's prediction space rapidly converges in the final layer, whereas Qwen-series models, especially Qwen3, exhibit a more human-like, progressively structured reasoning pattern. Motivated by these findings, we propose Bottom-up Policy Optimization (BuPO), a novel RL paradigm that directly optimizes the internal layer policy during early training. By aligning training objective at lower layer, BuPO reconstructs foundational reasoning capabilities and achieves superior performance. Extensive experiments on complex reasoning benchmarks demonstrates the effectiveness of our method. Our code is available at https://github.com/Trae1ounG/BuPO.

tencent Tencent
·
Dec 22 4

LaVi: Efficient Large Vision-Language Models via Internal Feature Modulation

Despite the impressive advancements of Large Vision-Language Models (LVLMs), existing approaches suffer from a fundamental bottleneck: inefficient visual-language integration. Current methods either disrupt the model's inherent structure or introduce severe long-context computational burden, severely limiting scalability and efficiency. In this paper, we rethink multimodal integration and present LaVi, a novel LVLM that enables seamless and efficient vision-language fusion through internal feature modulation within the Large Language Models (LLMs). Unlike dominant LVLMs that rely on visual token concatenation, LaVi bypasses long-context expansion by introducing a lightweight and adaptive transformation, which incorporates visual context by injecting token-wise vision-conditioned deltas into the affine parameters of layer normalization. This mechanism directly modulates linguistic hidden states based on visual input, ensuring precise vision-language alignment while preserving the LLM's linguistic priors and drastically reducing computational costs. Extensive evaluations across 15 image and video benchmarks demonstrate that LaVi not only achieves state-of-the-art multimodal performance but also dramatically enhances efficiency. Compared to LLaVA-OV-7B, LaVi reduces FLOPs by 94.0%, improves inference speed by 3.1 times, and cuts memory usage in half - establishing LaVi as a scalable and practical solution for real-time multimodal reasoning. The code and models will be released soon.

  • 7 authors
·
Jun 19

PINN surrogate of Li-ion battery models for parameter inference. Part I: Implementation and multi-fidelity hierarchies for the single-particle model

To plan and optimize energy storage demands that account for Li-ion battery aging dynamics, techniques need to be developed to diagnose battery internal states accurately and rapidly. This study seeks to reduce the computational resources needed to determine a battery's internal states by replacing physics-based Li-ion battery models -- such as the single-particle model (SPM) and the pseudo-2D (P2D) model -- with a physics-informed neural network (PINN) surrogate. The surrogate model makes high-throughput techniques, such as Bayesian calibration, tractable to determine battery internal parameters from voltage responses. This manuscript is the first of a two-part series that introduces PINN surrogates of Li-ion battery models for parameter inference (i.e., state-of-health diagnostics). In this first part, a method is presented for constructing a PINN surrogate of the SPM. A multi-fidelity hierarchical training, where several neural nets are trained with multiple physics-loss fidelities is shown to significantly improve the surrogate accuracy when only training on the governing equation residuals. The implementation is made available in a companion repository (https://github.com/NREL/pinnstripes). The techniques used to develop a PINN surrogate of the SPM are extended in Part II for the PINN surrogate for the P2D battery model, and explore the Bayesian calibration capabilities of both surrogates.

  • 9 authors
·
Dec 28, 2023

Looking Inward: Language Models Can Learn About Themselves by Introspection

Humans acquire knowledge by observing the external world, but also by introspection. Introspection gives a person privileged access to their current state of mind (e.g., thoughts and feelings) that is not accessible to external observers. Can LLMs introspect? We define introspection as acquiring knowledge that is not contained in or derived from training data but instead originates from internal states. Such a capability could enhance model interpretability. Instead of painstakingly analyzing a model's internal workings, we could simply ask the model about its beliefs, world models, and goals. More speculatively, an introspective model might self-report on whether it possesses certain internal states such as subjective feelings or desires and this could inform us about the moral status of these states. Such self-reports would not be entirely dictated by the model's training data. We study introspection by finetuning LLMs to predict properties of their own behavior in hypothetical scenarios. For example, "Given the input P, would your output favor the short- or long-term option?" If a model M1 can introspect, it should outperform a different model M2 in predicting M1's behavior even if M2 is trained on M1's ground-truth behavior. The idea is that M1 has privileged access to its own behavioral tendencies, and this enables it to predict itself better than M2 (even if M2 is generally stronger). In experiments with GPT-4, GPT-4o, and Llama-3 models (each finetuned to predict itself), we find that the model M1 outperforms M2 in predicting itself, providing evidence for introspection. Notably, M1 continues to predict its behavior accurately even after we intentionally modify its ground-truth behavior. However, while we successfully elicit introspection on simple tasks, we are unsuccessful on more complex tasks or those requiring out-of-distribution generalization.

  • 9 authors
·
Oct 17, 2024 11

Active Intelligence in Video Avatars via Closed-loop World Modeling

Current video avatar generation methods excel at identity preservation and motion alignment but lack genuine agency, they cannot autonomously pursue long-term goals through adaptive environmental interaction. We address this by introducing L-IVA (Long-horizon Interactive Visual Avatar), a task and benchmark for evaluating goal-directed planning in stochastic generative environments, and ORCA (Online Reasoning and Cognitive Architecture), the first framework enabling active intelligence in video avatars. ORCA embodies Internal World Model (IWM) capabilities through two key innovations: (1) a closed-loop OTAR cycle (Observe-Think-Act-Reflect) that maintains robust state tracking under generative uncertainty by continuously verifying predicted outcomes against actual generations, and (2) a hierarchical dual-system architecture where System 2 performs strategic reasoning with state prediction while System 1 translates abstract plans into precise, model-specific action captions. By formulating avatar control as a POMDP and implementing continuous belief updating with outcome verification, ORCA enables autonomous multi-step task completion in open-domain scenarios. Extensive experiments demonstrate that ORCA significantly outperforms open-loop and non-reflective baselines in task success rate and behavioral coherence, validating our IWM-inspired design for advancing video avatar intelligence from passive animation to active, goal-oriented behavior.

  • 9 authors
·
Dec 23 1

MLLMs Know Where to Look: Training-free Perception of Small Visual Details with Multimodal LLMs

Multimodal Large Language Models (MLLMs) have experienced rapid progress in visual recognition tasks in recent years. Given their potential integration into many critical applications, it is important to understand the limitations of their visual perception. In this work, we study whether MLLMs can perceive small visual details as effectively as large ones when answering questions about images. We observe that their performance is very sensitive to the size of the visual subject of the question, and further show that this effect is in fact causal by conducting an intervention study. Next, we study the attention patterns of MLLMs when answering visual questions, and intriguingly find that they consistently know where to look, even when they provide the wrong answer. Based on these findings, we then propose training-free visual intervention methods that leverage the internal knowledge of any MLLM itself, in the form of attention and gradient maps, to enhance its perception of small visual details. We evaluate our proposed methods on two widely-used MLLMs and seven visual question answering benchmarks and show that they can significantly improve MLLMs' accuracy without requiring any training. Our results elucidate the risk of applying MLLMs to visual recognition tasks concerning small details and indicate that visual intervention using the model's internal state is a promising direction to mitigate this risk.

  • 4 authors
·
Feb 24 2

Do Vision-Language Models Have Internal World Models? Towards an Atomic Evaluation

Internal world models (WMs) enable agents to understand the world's state and predict transitions, serving as the basis for advanced deliberative reasoning. Recent large Vision-Language Models (VLMs), such as OpenAI o3, GPT-4o and Gemini, exhibit potential as general-purpose WMs. While the latest studies have evaluated and shown limitations in specific capabilities such as visual understanding, a systematic evaluation of VLMs' fundamental WM abilities remains absent. Drawing on comparative psychology and cognitive science, we propose a two-stage framework that assesses Perception (visual, spatial, temporal, quantitative, and motion) and Prediction (mechanistic simulation, transitive inference, compositional inference) to provide an atomic evaluation of VLMs as WMs. Guided by this framework, we introduce WM-ABench, a large-scale benchmark comprising 23 fine-grained evaluation dimensions across 6 diverse simulated environments with controlled counterfactual simulations. Through 660 experiments on 15 latest commercial and open-source VLMs, we find that these models exhibit striking limitations in basic world modeling abilities. For instance, almost all models perform at near-random accuracy when distinguishing motion trajectories. Additionally, they lack disentangled understanding -- e.g., some models tend to believe blue objects move faster than green ones. More rich results and analyses reveal significant gaps between VLMs and human-level world modeling.

Correctness Assessment of Code Generated by Large Language Models Using Internal Representations

Ensuring the correctness of code generated by Large Language Models (LLMs) presents a significant challenge in AI-driven software development. Existing approaches predominantly rely on black-box (closed-box) approaches that evaluate correctness post-generation, failing to utilize the rich insights embedded in the LLMs' internal states during code generation. In this paper, we introduce OPENIA, a novel white-box (open-box) framework that leverages these internal representations to assess the correctness of LLM-generated code. OPENIA systematically analyzes the intermediate states of representative open-source LLMs specialized for code, including DeepSeek-Coder, CodeLlama, and MagicCoder, across diverse code generation benchmarks. Our empirical analysis reveals that these internal representations encode latent information, which strongly correlates with the correctness of the generated code. Building on these insights, OPENIA uses a white-box/open-box approach to make informed predictions about code correctness, offering significant advantages in adaptability and robustness over traditional classification-based methods and zero-shot approaches. Experimental results demonstrate that OPENIA consistently outperforms baseline models, achieving higher accuracy, precision, recall, and F1-Scores with up to a 2X improvement in standalone code generation and a 46% enhancement in repository-specific scenarios. By unlocking the potential of in-process signals, OPENIA paves the way for more proactive and efficient quality assurance mechanisms in LLM-assisted code generation.

  • 5 authors
·
Jan 22

Polarity-Aware Probing for Quantifying Latent Alignment in Language Models

Advances in unsupervised probes such as Contrast-Consistent Search (CCS), which reveal latent beliefs without relying on token outputs, raise the question of whether these methods can reliably assess model alignment. We investigate this by examining the sensitivity of CCS to harmful vs. safe statements and by introducing Polarity-Aware CCS (PA-CCS), a method for evaluating whether a model's internal representations remain consistent under polarity inversion. We propose two alignment-oriented metrics, Polar-Consistency and the Contradiction Index, to quantify the semantic robustness of a model's latent knowledge. To validate PA-CCS, we curate two main datasets and one control dataset containing matched harmful-safe sentence pairs constructed using different methodologies (concurrent and antagonistic statements). We apply PA-CCS to 16 language models. Our results show that PA-CCS identifies both architectural and layer-specific differences in the encoding of latent harmful knowledge. Notably, replacing the negation token with a meaningless marker degrades PA-CCS scores for models with well-aligned internal representations, while models lacking robust internal calibration do not exhibit this degradation. Our findings highlight the potential of unsupervised probing for alignment evaluation and emphasize the need to incorporate structural robustness checks into interpretability benchmarks. Code and datasets are available at: https://github.com/SadSabrina/polarity-probing. WARNING: This paper contains potentially sensitive, harmful, and offensive content.

  • 3 authors
·
Nov 21

Catching the Details: Self-Distilled RoI Predictors for Fine-Grained MLLM Perception

Multimodal Large Language Models (MLLMs) require high-resolution visual information to perform fine-grained perception, yet processing entire high-resolution images is computationally prohibitive. While recent methods leverage a Region-of-Interest (RoI) mechanism to focus on salient areas, they typically present a difficult trade-off: training-based approaches depend on large-scale annotated datasets, while training-free methods that utilize the model's internal attention are computationally inefficient and less accurate, requiring either multi-pass prefill stages or reliance on the slow auto-regressive decoding process. In this paper, we propose an efficient, annotation-free Self-Distilled Region Proposal Network (SD-RPN) that resolves this trade-off. The SD-RPN is built around a pipeline that transforms the noisy attention maps from the MLLM's middle layers into high-quality pseudo-RoI labels by explicitly denoising the signal and resolving ambiguity. We use these labels to train a lightweight Region Proposal Network (RPN) that learns a more precise localization. This RPN is also highly efficient, predicting the RoI in a single forward pass using features from the MLLM's middle layers, decoupling RoI identification from the auto-regressive generation and avoiding costly multi-pass operations.To validate our approach, we integrate the framework into the LLaVA-1.5 architecture. Despite being trained on only a few (e.g. 10K) question-answer pairs, our method demonstrates exceptional data efficiency and generalization, achieving over a 10% absolute accuracy improvement on unseen benchmarks, including TextVQA, DocVQA, and V-Star. Our work presents a practical and scalable solution for enhancing the fine-grained perception of MLLMs without requiring costly supervision or full model fine-tuning. Code is available at https://github.com/YuHengsss/SD-RPN.

UniBiomed: A Universal Foundation Model for Grounded Biomedical Image Interpretation

Multi-modal interpretation of biomedical images opens up novel opportunities in biomedical image analysis. Conventional AI approaches typically rely on disjointed training, i.e., Large Language Models (LLMs) for clinical text generation and segmentation models for target extraction, which results in inflexible real-world deployment and a failure to leverage holistic biomedical information. To this end, we introduce UniBiomed, the first universal foundation model for grounded biomedical image interpretation. UniBiomed is based on a novel integration of Multi-modal Large Language Model (MLLM) and Segment Anything Model (SAM), which effectively unifies the generation of clinical texts and the segmentation of corresponding biomedical objects for grounded interpretation. In this way, UniBiomed is capable of tackling a wide range of biomedical tasks across ten diverse biomedical imaging modalities. To develop UniBiomed, we curate a large-scale dataset comprising over 27 million triplets of images, annotations, and text descriptions across ten imaging modalities. Extensive validation on 84 internal and external datasets demonstrated that UniBiomed achieves state-of-the-art performance in segmentation, disease recognition, region-aware diagnosis, visual question answering, and report generation. Moreover, unlike previous models that rely on clinical experts to pre-diagnose images and manually craft precise textual or visual prompts, UniBiomed can provide automated and end-to-end grounded interpretation for biomedical image analysis. This represents a novel paradigm shift in clinical workflows, which will significantly improve diagnostic efficiency. In summary, UniBiomed represents a novel breakthrough in biomedical AI, unlocking powerful grounded interpretation capabilities for more accurate and efficient biomedical image analysis.

  • 5 authors
·
Apr 30 4

Increasing Liquid State Machine Performance with Edge-of-Chaos Dynamics Organized by Astrocyte-modulated Plasticity

The liquid state machine (LSM) combines low training complexity and biological plausibility, which has made it an attractive machine learning framework for edge and neuromorphic computing paradigms. Originally proposed as a model of brain computation, the LSM tunes its internal weights without backpropagation of gradients, which results in lower performance compared to multi-layer neural networks. Recent findings in neuroscience suggest that astrocytes, a long-neglected non-neuronal brain cell, modulate synaptic plasticity and brain dynamics, tuning brain networks to the vicinity of the computationally optimal critical phase transition between order and chaos. Inspired by this disruptive understanding of how brain networks self-tune, we propose the neuron-astrocyte liquid state machine (NALSM) that addresses under-performance through self-organized near-critical dynamics. Similar to its biological counterpart, the astrocyte model integrates neuronal activity and provides global feedback to spike-timing-dependent plasticity (STDP), which self-organizes NALSM dynamics around a critical branching factor that is associated with the edge-of-chaos. We demonstrate that NALSM achieves state-of-the-art accuracy versus comparable LSM methods, without the need for data-specific hand-tuning. With a top accuracy of 97.61% on MNIST, 97.51% on N-MNIST, and 85.84% on Fashion-MNIST, NALSM achieved comparable performance to current fully-connected multi-layer spiking neural networks trained via backpropagation. Our findings suggest that the further development of brain-inspired machine learning methods has the potential to reach the performance of deep learning, with the added benefits of supporting robust and energy-efficient neuromorphic computing on the edge.

  • 2 authors
·
Oct 26, 2021

iDisc: Internal Discretization for Monocular Depth Estimation

Monocular depth estimation is fundamental for 3D scene understanding and downstream applications. However, even under the supervised setup, it is still challenging and ill-posed due to the lack of full geometric constraints. Although a scene can consist of millions of pixels, there are fewer high-level patterns. We propose iDisc to learn those patterns with internal discretized representations. The method implicitly partitions the scene into a set of high-level patterns. In particular, our new module, Internal Discretization (ID), implements a continuous-discrete-continuous bottleneck to learn those concepts without supervision. In contrast to state-of-the-art methods, the proposed model does not enforce any explicit constraints or priors on the depth output. The whole network with the ID module can be trained end-to-end, thanks to the bottleneck module based on attention. Our method sets the new state of the art with significant improvements on NYU-Depth v2 and KITTI, outperforming all published methods on the official KITTI benchmark. iDisc can also achieve state-of-the-art results on surface normal estimation. Further, we explore the model generalization capability via zero-shot testing. We observe the compelling need to promote diversification in the outdoor scenario. Hence, we introduce splits of two autonomous driving datasets, DDAD and Argoverse. Code is available at http://vis.xyz/pub/idisc .

  • 3 authors
·
Apr 13, 2023

StressPrompt: Does Stress Impact Large Language Models and Human Performance Similarly?

Human beings often experience stress, which can significantly influence their performance. This study explores whether Large Language Models (LLMs) exhibit stress responses similar to those of humans and whether their performance fluctuates under different stress-inducing prompts. To investigate this, we developed a novel set of prompts, termed StressPrompt, designed to induce varying levels of stress. These prompts were derived from established psychological frameworks and carefully calibrated based on ratings from human participants. We then applied these prompts to several LLMs to assess their responses across a range of tasks, including instruction-following, complex reasoning, and emotional intelligence. The findings suggest that LLMs, like humans, perform optimally under moderate stress, consistent with the Yerkes-Dodson law. Notably, their performance declines under both low and high-stress conditions. Our analysis further revealed that these StressPrompts significantly alter the internal states of LLMs, leading to changes in their neural representations that mirror human responses to stress. This research provides critical insights into the operational robustness and flexibility of LLMs, demonstrating the importance of designing AI systems capable of maintaining high performance in real-world scenarios where stress is prevalent, such as in customer service, healthcare, and emergency response contexts. Moreover, this study contributes to the broader AI research community by offering a new perspective on how LLMs handle different scenarios and their similarities to human cognition.

  • 6 authors
·
Sep 14, 2024

Reasoning with Language Model is Planning with World Model

Large language models (LLMs) have shown remarkable reasoning capabilities, especially when prompted to generate intermediate reasoning steps (e.g., Chain-of-Thought, CoT). However, LLMs can still struggle with problems that are easy for humans, such as generating action plans for executing tasks in a given environment, or performing complex math, logical, and commonsense reasoning. The deficiency stems from the key fact that LLMs lack an internal world model to predict the world state (e.g., environment status, intermediate variable values) and simulate long-term outcomes of actions. This prevents LLMs from performing deliberate planning akin to human brains, which involves exploring alternative reasoning paths, anticipating future states and rewards, and iteratively refining existing reasoning steps. To overcome the limitations, we propose a new LLM reasoning framework, Reasoning via Planning (RAP). RAP repurposes the LLM as both a world model and a reasoning agent, and incorporates a principled planning algorithm (based on Monto Carlo Tree Search) for strategic exploration in the vast reasoning space. During reasoning, the LLM (as agent) incrementally builds a reasoning tree under the guidance of the LLM (as world model) and task-specific rewards, and obtains a high-reward reasoning path efficiently with a proper balance between exploration vs. exploitation. We apply RAP to a variety of challenging reasoning problems including plan generation, math reasoning, and logical inference. Empirical results on these tasks demonstrate the superiority of RAP over various strong baselines, including CoT and least-to-most prompting with self-consistency. RAP on LLAMA-33B surpasses CoT on GPT-4 with 33% relative improvement in a plan generation setting.

  • 7 authors
·
May 24, 2023 2

Autoregressive Hidden Markov Models with partial knowledge on latent space applied to aero-engines prognostics

[This paper was initially published in PHME conference in 2016, selected for further publication in International Journal of Prognostics and Health Management.] This paper describes an Autoregressive Partially-hidden Markov model (ARPHMM) for fault detection and prognostics of equipments based on sensors' data. It is a particular dynamic Bayesian network that allows to represent the dynamics of a system by means of a Hidden Markov Model (HMM) and an autoregressive (AR) process. The Markov chain assumes that the system is switching back and forth between internal states while the AR process ensures a temporal coherence on sensor measurements. A sound learning procedure of standard ARHMM based on maximum likelihood allows to iteratively estimate all parameters simultaneously. This paper suggests a modification of the learning procedure considering that one may have prior knowledge about the structure which becomes partially hidden. The integration of the prior is based on the Theory of Weighted Distributions which is compatible with the Expectation-Maximization algorithm in the sense that the convergence properties are still satisfied. We show how to apply this model to estimate the remaining useful life based on health indicators. The autoregressive parameters can indeed be used for prediction while the latent structure can be used to get information about the degradation level. The interest of the proposed method for prognostics and health assessment is demonstrated on CMAPSS datasets.

  • 4 authors
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May 1, 2021

Cardiac-CLIP: A Vision-Language Foundation Model for 3D Cardiac CT Images

Foundation models have demonstrated remarkable potential in medical domain. However, their application to complex cardiovascular diagnostics remains underexplored. In this paper, we present Cardiac-CLIP, a multi-modal foundation model designed for 3D cardiac CT images. Cardiac-CLIP is developed through a two-stage pre-training strategy. The first stage employs a 3D masked autoencoder (MAE) to perform self-supervised representation learning from large-scale unlabeled volumetric data, enabling the visual encoder to capture rich anatomical and contextual features. In the second stage, contrastive learning is introduced to align visual and textual representations, facilitating cross-modal understanding. To support the pre-training, we collect 16641 real clinical CT scans, supplemented by 114k publicly available data. Meanwhile, we standardize free-text radiology reports into unified templates and construct the pathology vectors according to diagnostic attributes, based on which the soft-label matrix is generated to supervise the contrastive learning process. On the other hand, to comprehensively evaluate the effectiveness of Cardiac-CLIP, we collect 6,722 real-clinical data from 12 independent institutions, along with the open-source data to construct the evaluation dataset. Specifically, Cardiac-CLIP is comprehensively evaluated across multiple tasks, including cardiovascular abnormality classification, information retrieval and clinical analysis. Experimental results demonstrate that Cardiac-CLIP achieves state-of-the-art performance across various downstream tasks in both internal and external data. Particularly, Cardiac-CLIP exhibits great effectiveness in supporting complex clinical tasks such as the prospective prediction of acute coronary syndrome, which is notoriously difficult in real-world scenarios.

  • 23 authors
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Jul 29

Current state of LLM Risks and AI Guardrails

Large language models (LLMs) have become increasingly sophisticated, leading to widespread deployment in sensitive applications where safety and reliability are paramount. However, LLMs have inherent risks accompanying them, including bias, potential for unsafe actions, dataset poisoning, lack of explainability, hallucinations, and non-reproducibility. These risks necessitate the development of "guardrails" to align LLMs with desired behaviors and mitigate potential harm. This work explores the risks associated with deploying LLMs and evaluates current approaches to implementing guardrails and model alignment techniques. We examine intrinsic and extrinsic bias evaluation methods and discuss the importance of fairness metrics for responsible AI development. The safety and reliability of agentic LLMs (those capable of real-world actions) are explored, emphasizing the need for testability, fail-safes, and situational awareness. Technical strategies for securing LLMs are presented, including a layered protection model operating at external, secondary, and internal levels. System prompts, Retrieval-Augmented Generation (RAG) architectures, and techniques to minimize bias and protect privacy are highlighted. Effective guardrail design requires a deep understanding of the LLM's intended use case, relevant regulations, and ethical considerations. Striking a balance between competing requirements, such as accuracy and privacy, remains an ongoing challenge. This work underscores the importance of continuous research and development to ensure the safe and responsible use of LLMs in real-world applications.

  • 2 authors
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Jun 16, 2024

EXAONE Path 2.5: Pathology Foundation Model with Multi-Omics Alignment

Cancer progression arises from interactions across multiple biological layers, especially beyond morphological and across molecular layers that remain invisible to image-only models. To capture this broader biological landscape, we present EXAONE Path 2.5, a pathology foundation model that jointly models histologic, genomic, epigenetic and transcriptomic modalities, producing an integrated patient representation that reflects tumor biology more comprehensively. Our approach incorporates three key components: (1) multimodal SigLIP loss enabling all-pairwise contrastive learning across heterogeneous modalities, (2) a fragment-aware rotary positional encoding (F-RoPE) module that preserves spatial structure and tissue-fragment topology in WSI, and (3) domain-specialized internal foundation models for both WSI and RNA-seq to provide biologically grounded embeddings for robust multimodal alignment. We evaluate EXAONE Path 2.5 against six leading pathology foundation models across two complementary benchmarks: an internal real-world clinical dataset and the Patho-Bench benchmark covering 80 tasks. Our framework demonstrates high data and parameter efficiency, achieving on-par performance with state-of-the-art foundation models on Patho-Bench while exhibiting the highest adaptability in the internal clinical setting. These results highlight the value of biologically informed multimodal design and underscore the potential of integrated genotype-to-phenotype modeling for next-generation precision oncology.

  • 7 authors
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Dec 15

Mastering Board Games by External and Internal Planning with Language Models

While large language models perform well on a range of complex tasks (e.g., text generation, question answering, summarization), robust multi-step planning and reasoning remains a considerable challenge for them. In this paper we show that search-based planning can significantly improve LLMs' playing strength across several board games (Chess, Fischer Random / Chess960, Connect Four, and Hex). We introduce, compare and contrast two major approaches: In external search, the model guides Monte Carlo Tree Search (MCTS) rollouts and evaluations without calls to an external engine, and in internal search, the model directly generates in-context a linearized tree of potential futures and a resulting final choice. Both build on a language model pre-trained on relevant domain knowledge, capturing the transition and value functions across these games. We find that our pre-training method minimizes hallucinations, as our model is highly accurate regarding state prediction and legal moves. Additionally, both internal and external search indeed improve win-rates against state-of-the-art bots, even reaching Grandmaster-level performance in chess while operating on a similar move count search budget per decision as human Grandmasters. The way we combine search with domain knowledge is not specific to board games, suggesting direct extensions into more general language model inference and training techniques.

  • 16 authors
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Dec 2, 2024

TruthPrInt: Mitigating LVLM Object Hallucination Via Latent Truthful-Guided Pre-Intervention

Object Hallucination (OH) has been acknowledged as one of the major trustworthy challenges in Large Vision-Language Models (LVLMs). Recent advancements in Large Language Models (LLMs) indicate that internal states, such as hidden states, encode the "overall truthfulness" of generated responses. However, it remains under-explored how internal states in LVLMs function and whether they could serve as "per-token" hallucination indicators, which is essential for mitigating OH. In this paper, we first conduct an in-depth exploration of LVLM internal states in relation to OH issues and discover that (1) LVLM internal states are high-specificity per-token indicators of hallucination behaviors. Moreover, (2) different LVLMs encode universal patterns of hallucinations in common latent subspaces, indicating that there exist "generic truthful directions" shared by various LVLMs. Based on these discoveries, we propose Truthful-Guided Pre-Intervention (TruthPrInt) that first learns the truthful direction of LVLM decoding and then applies truthful-guided inference-time intervention during LVLM decoding. We further propose ComnHallu to enhance both cross-LVLM and cross-data hallucination detection transferability by constructing and aligning hallucination latent subspaces. We evaluate TruthPrInt in extensive experimental settings, including in-domain and out-of-domain scenarios, over popular LVLMs and OH benchmarks. Experimental results indicate that TruthPrInt significantly outperforms state-of-the-art methods. Codes will be available at https://github.com/jinhaoduan/TruthPrInt.

  • 9 authors
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Mar 13 2

Examining the Source of Defects from a Mechanical Perspective for 3D Anomaly Detection

In this paper, we explore a novel approach to 3D anomaly detection (AD) that goes beyond merely identifying anomalies based on structural characteristics. Our primary perspective is that most anomalies arise from unpredictable defective forces originating from both internal and external sources. To address these anomalies, we seek out opposing forces that can help correct them. Therefore, we introduce the Mechanics Complementary Model-based Framework for the 3D-AD task (MC4AD), which generates internal and external corrective forces for each point. We first propose a Diverse Anomaly-Generation (DA-Gen) module designed to simulate various types of anomalies. Next, we present the Corrective Force Prediction Network (CFP-Net), which uses complementary representations for point-level analysis to simulate the different contributions from internal and external corrective forces. To ensure the corrective forces are constrained effectively, we have developed a combined loss function that includes a new symmetric loss and an overall loss. Notably, we implement a Hierarchical Quality Control (HQC) strategy based on a three-way decision process and contribute a dataset titled Anomaly-IntraVariance, which incorporates intraclass variance to evaluate our model. As a result, the proposed MC4AD has been proven effective through theory and experimentation. The experimental results demonstrate that our approach yields nine state-of-the-art performances, achieving optimal results with minimal parameters and the fastest inference speed across five existing datasets, in addition to the proposed Anomaly-IntraVariance dataset. The source is available at https://github.com/hzzzzzhappy/MC4AD

  • 6 authors
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May 9

Information Extraction from Heterogeneous Documents without Ground Truth Labels using Synthetic Label Generation and Knowledge Distillation

Invoices and receipts submitted by employees are visually rich documents (VRDs) with textual, visual and layout information. To protect against the risk of fraud and abuse, it is crucial for organizations to efficiently extract desired information from submitted receipts. This helps in the assessment of key factors such as appropriateness of the expense claim, adherence to spending and transaction policies, the validity of the receipt, as well as downstream anomaly detection at various levels. These documents are heterogeneous, with multiple formats and languages, uploaded with different image qualities, and often do not contain ground truth labels for the efficient training of models. In this paper we propose Task Aware Instruction-based Labelling (TAIL), a method for synthetic label generation in VRD corpuses without labels, and fine-tune a multimodal Visually Rich Document Understanding Model (VRDU) on TAIL labels using response-based knowledge distillation without using the teacher model's weights or training dataset to conditionally generate annotations in the appropriate format. Using a benchmark external dataset where ground truth labels are available, we demonstrate conditions under which our approach performs at par with Claude 3 Sonnet through empirical studies. We then show that the resulting model performs at par or better on the internal expense documents of a large multinational organization than state-of-the-art LMM (large multimodal model) Claude 3 Sonnet while being 85% less costly and ~5X faster, and outperforms layout-aware baselines by more than 10% in Average Normalized Levenshtein Similarity (ANLS) scores due to its ability to reason and extract information from rare formats. Finally, we illustrate the usage of our approach in overpayment prevention.

  • 2 authors
·
Nov 22, 2024

Analyzing Fine-tuning Representation Shift for Multimodal LLMs Steering alignment

Multimodal LLMs have reached remarkable levels of proficiency in understanding multimodal inputs, driving extensive research to develop increasingly powerful models. However, much less attention has been paid to understanding and explaining the underlying mechanisms of these models. Most existing explainability research examines these models only in their final states, overlooking the dynamic representational shifts that occur during training. In this work, we systematically analyze the evolution of hidden state representations to reveal how fine-tuning alters the internal structure of a model to specialize in new multimodal tasks. Using a concept-based approach, we map hidden states to interpretable visual and textual concepts, enabling us to trace changes in encoded concepts across modalities as training progresses. We also demonstrate the use of shift vectors to capture these concepts changes. These shift vectors allow us to recover fine-tuned concepts by shifting those in the original model. Finally, we explore the practical impact of our findings on model steering, showing that we can adjust multimodal LLMs behaviors without any training, such as modifying answer types, captions style, or biasing the model toward specific responses. Our work sheds light on how multimodal representations evolve through fine-tuning and offers a new perspective for interpreting model adaptation in multimodal tasks. The code for this project is publicly available at https://github.com/mshukor/xl-vlms.

  • 4 authors
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Jan 6

Are Large Language Models Post Hoc Explainers?

Large Language Models (LLMs) are increasingly used as powerful tools for a plethora of natural language processing (NLP) applications. A recent innovation, in-context learning (ICL), enables LLMs to learn new tasks by supplying a few examples in the prompt during inference time, thereby eliminating the need for model fine-tuning. While LLMs have been utilized in several applications, their applicability in explaining the behavior of other models remains relatively unexplored. Despite the growing number of new explanation techniques, many require white-box access to the model and/or are computationally expensive, highlighting a need for next-generation post hoc explainers. In this work, we present the first framework to study the effectiveness of LLMs in explaining other predictive models. More specifically, we propose a novel framework encompassing multiple prompting strategies: i) Perturbation-based ICL, ii) Prediction-based ICL, iii) Instruction-based ICL, and iv) Explanation-based ICL, with varying levels of information about the underlying ML model and the local neighborhood of the test sample. We conduct extensive experiments with real-world benchmark datasets to demonstrate that LLM-generated explanations perform on par with state-of-the-art post hoc explainers using their ability to leverage ICL examples and their internal knowledge in generating model explanations. On average, across four datasets and two ML models, we observe that LLMs identify the most important feature with 72.19% accuracy, opening up new frontiers in explainable artificial intelligence (XAI) to explore LLM-based explanation frameworks.

  • 5 authors
·
Oct 9, 2023

Internal Consistency and Self-Feedback in Large Language Models: A Survey

Large language models (LLMs) are expected to respond accurately but often exhibit deficient reasoning or generate hallucinatory content. To address these, studies prefixed with ``Self-'' such as Self-Consistency, Self-Improve, and Self-Refine have been initiated. They share a commonality: involving LLMs evaluating and updating itself to mitigate the issues. Nonetheless, these efforts lack a unified perspective on summarization, as existing surveys predominantly focus on categorization without examining the motivations behind these works. In this paper, we summarize a theoretical framework, termed Internal Consistency, which offers unified explanations for phenomena such as the lack of reasoning and the presence of hallucinations. Internal Consistency assesses the coherence among LLMs' latent layer, decoding layer, and response layer based on sampling methodologies. Expanding upon the Internal Consistency framework, we introduce a streamlined yet effective theoretical framework capable of mining Internal Consistency, named Self-Feedback. The Self-Feedback framework consists of two modules: Self-Evaluation and Self-Update. This framework has been employed in numerous studies. We systematically classify these studies by tasks and lines of work; summarize relevant evaluation methods and benchmarks; and delve into the concern, ``Does Self-Feedback Really Work?'' We propose several critical viewpoints, including the ``Hourglass Evolution of Internal Consistency'', ``Consistency Is (Almost) Correctness'' hypothesis, and ``The Paradox of Latent and Explicit Reasoning''. Furthermore, we outline promising directions for future research. We have open-sourced the experimental code, reference list, and statistical data, available at https://github.com/IAAR-Shanghai/ICSFSurvey.

  • 9 authors
·
Jul 19, 2024 9

On the Parameterization and Initialization of Diagonal State Space Models

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

  • 4 authors
·
Jun 23, 2022

ThinkPatterns-21k: A Systematic Study on the Impact of Thinking Patterns in LLMs

Large language models (LLMs) have demonstrated enhanced performance through the Thinking then Responding paradigm, where models generate internal thoughts before final responses (aka, System 2 thinking). However, existing research lacks a systematic understanding of the mechanisms underlying how thinking patterns affect performance across model sizes. In this work, we conduct a comprehensive analysis of the impact of various thinking types on model performance and introduce ThinkPatterns-21k, a curated dataset comprising 21k instruction-response pairs (QA) collected from existing instruction-following datasets with five thinking types. For each pair, we augment it with five distinct internal thinking patterns: one unstructured thinking (monologue) and four structured variants (decomposition, self-ask, self-debate and self-critic), while maintaining the same instruction and response. Through extensive evaluation across different model sizes (3B-32B parameters), we have two key findings: (1) smaller models (<30B parameters) can benefit from most of structured thinking patterns, while larger models (32B) with structured thinking like decomposition would degrade performance and (2) unstructured monologue demonstrates broad effectiveness across different model sizes. Finally, we released all of our datasets, checkpoints, training logs of diverse thinking patterns to reproducibility, aiming to facilitate further research in this direction.

  • 8 authors
·
Mar 17

Decoding Emotion in the Deep: A Systematic Study of How LLMs Represent, Retain, and Express Emotion

Large Language Models (LLMs) are increasingly expected to navigate the nuances of human emotion. While research confirms that LLMs can simulate emotional intelligence, their internal emotional mechanisms remain largely unexplored. This paper investigates the latent emotional representations within modern LLMs by asking: how, where, and for how long is emotion encoded in their neural architecture? To address this, we introduce a novel, large-scale Reddit corpus of approximately 400,000 utterances, balanced across seven basic emotions through a multi-stage process of classification, rewriting, and synthetic generation. Using this dataset, we employ lightweight "probes" to read out information from the hidden layers of various Qwen3 and LLaMA models without altering their parameters. Our findings reveal that LLMs develop a surprisingly well-defined internal geometry of emotion, which sharpens with model scale and significantly outperforms zero-shot prompting. We demonstrate that this emotional signal is not a final-layer phenomenon but emerges early and peaks mid-network. Furthermore, the internal states are both malleable (they can be influenced by simple system prompts) and persistent, as the initial emotional tone remains detectable for hundreds of subsequent tokens. We contribute our dataset, an open-source probing toolkit, and a detailed map of the emotional landscape within LLMs, offering crucial insights for developing more transparent and aligned AI systems. The code and dataset are open-sourced.

  • 2 authors
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Oct 5

Disentangling Shape and Pose for Object-Centric Deep Active Inference Models

Active inference is a first principles approach for understanding the brain in particular, and sentient agents in general, with the single imperative of minimizing free energy. As such, it provides a computational account for modelling artificial intelligent agents, by defining the agent's generative model and inferring the model parameters, actions and hidden state beliefs. However, the exact specification of the generative model and the hidden state space structure is left to the experimenter, whose design choices influence the resulting behaviour of the agent. Recently, deep learning methods have been proposed to learn a hidden state space structure purely from data, alleviating the experimenter from this tedious design task, but resulting in an entangled, non-interpreteable state space. In this paper, we hypothesize that such a learnt, entangled state space does not necessarily yield the best model in terms of free energy, and that enforcing different factors in the state space can yield a lower model complexity. In particular, we consider the problem of 3D object representation, and focus on different instances of the ShapeNet dataset. We propose a model that factorizes object shape, pose and category, while still learning a representation for each factor using a deep neural network. We show that models, with best disentanglement properties, perform best when adopted by an active agent in reaching preferred observations.

  • 5 authors
·
Sep 16, 2022

How GPT learns layer by layer

Large Language Models (LLMs) excel at tasks like language processing, strategy games, and reasoning but struggle to build generalizable internal representations essential for adaptive decision-making in agents. For agents to effectively navigate complex environments, they must construct reliable world models. While LLMs perform well on specific benchmarks, they often fail to generalize, leading to brittle representations that limit their real-world effectiveness. Understanding how LLMs build internal world models is key to developing agents capable of consistent, adaptive behavior across tasks. We analyze OthelloGPT, a GPT-based model trained on Othello gameplay, as a controlled testbed for studying representation learning. Despite being trained solely on next-token prediction with random valid moves, OthelloGPT shows meaningful layer-wise progression in understanding board state and gameplay. Early layers capture static attributes like board edges, while deeper layers reflect dynamic tile changes. To interpret these representations, we compare Sparse Autoencoders (SAEs) with linear probes, finding that SAEs offer more robust, disentangled insights into compositional features, whereas linear probes mainly detect features useful for classification. We use SAEs to decode features related to tile color and tile stability, a previously unexamined feature that reflects complex gameplay concepts like board control and long-term planning. We study the progression of linear probe accuracy and tile color using both SAE's and linear probes to compare their effectiveness at capturing what the model is learning. Although we begin with a smaller language model, OthelloGPT, this study establishes a framework for understanding the internal representations learned by GPT models, transformers, and LLMs more broadly. Our code is publicly available: https://github.com/ALT-JS/OthelloSAE.

  • 6 authors
·
Jan 13

Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

  • 5 authors
·
May 31, 2019

Reasoning with Confidence: Efficient Verification of LLM Reasoning Steps via Uncertainty Heads

Solving complex tasks usually requires LLMs to generate long multi-step reasoning chains. Previous work has shown that verifying the correctness of individual reasoning steps can further improve the performance and efficiency of LLMs on such tasks and enhance solution interpretability. However, existing verification approaches, such as Process Reward Models (PRMs), are either computationally expensive, limited to specific domains, or require large-scale human or model-generated annotations. Thus, we propose a lightweight alternative for step-level reasoning verification based on data-driven uncertainty scores. We train transformer-based uncertainty quantification heads (UHeads) that use the internal states of a frozen LLM to estimate the uncertainty of its reasoning steps during generation. The approach is fully automatic: target labels are generated either by another larger LLM (e.g., DeepSeek R1) or in a self-supervised manner by the original model itself. UHeads are both effective and lightweight, containing less than 10M parameters. Across multiple domains, including mathematics, planning, and general knowledge question answering, they match or even surpass the performance of PRMs that are up to 810x larger. Our findings suggest that the internal states of LLMs encode their uncertainty and can serve as reliable signals for reasoning verification, offering a promising direction toward scalable and generalizable introspective LLMs.

Self-supervised learning of video representations from a child's perspective

Children learn powerful internal models of the world around them from a few years of egocentric visual experience. Can such internal models be learned from a child's visual experience with highly generic learning algorithms or do they require strong inductive biases? Recent advances in collecting large-scale, longitudinal, developmentally realistic video datasets and generic self-supervised learning (SSL) algorithms are allowing us to begin to tackle this nature vs. nurture question. However, existing work typically focuses on image-based SSL algorithms and visual capabilities that can be learned from static images (e.g. object recognition), thus ignoring temporal aspects of the world. To close this gap, here we train self-supervised video models on longitudinal, egocentric headcam recordings collected from a child over a two year period in their early development (6-31 months). The resulting models are highly effective at facilitating the learning of action concepts from a small number of labeled examples; they have favorable data size scaling properties; and they display emergent video interpolation capabilities. Video models also learn more robust object representations than image-based models trained with the exact same data. These results suggest that important temporal aspects of a child's internal model of the world may be learnable from their visual experience using highly generic learning algorithms and without strong inductive biases.

  • 5 authors
·
Jan 31, 2024

Towards Atoms of Large Language Models

The fundamental units of internal representations in large language models (LLMs) remain undefined, limiting further understanding of their mechanisms. Neurons or features are often regarded as such units, yet neurons suffer from polysemy, while features face concerns of unreliable reconstruction and instability. To address this issue, we propose the Atoms Theory, which defines such units as atoms. We introduce the atomic inner product (AIP) to correct representation shifting, formally define atoms, and prove the conditions that atoms satisfy the Restricted Isometry Property (RIP), ensuring stable sparse representations over atom set and linking to compressed sensing. Under stronger conditions, we further establish the uniqueness and exact ell_1 recoverability of the sparse representations, and provide guarantees that single-layer sparse autoencoders (SAEs) with threshold activations can reliably identify the atoms. To validate the Atoms Theory, we train threshold-activated SAEs on Gemma2-2B, Gemma2-9B, and Llama3.1-8B, achieving 99.9% sparse reconstruction across layers on average, and more than 99.8% of atoms satisfy the uniqueness condition, compared to 0.5% for neurons and 68.2% for features, showing that atoms more faithfully capture intrinsic representations of LLMs. Scaling experiments further reveal the link between SAEs size and recovery capacity. Overall, this work systematically introduces and validates Atoms Theory of LLMs, providing a theoretical framework for understanding internal representations and a foundation for mechanistic interpretability. Code available at https://github.com/ChenhuiHu/towards_atoms.

  • 5 authors
·
Sep 25

Autoregressive Transformer Neural Network for Simulating Open Quantum Systems via a Probabilistic Formulation

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

  • 4 authors
·
Sep 11, 2020

Tell me about yourself: LLMs are aware of their learned behaviors

We study behavioral self-awareness -- an LLM's ability to articulate its behaviors without requiring in-context examples. We finetune LLMs on datasets that exhibit particular behaviors, such as (a) making high-risk economic decisions, and (b) outputting insecure code. Despite the datasets containing no explicit descriptions of the associated behavior, the finetuned LLMs can explicitly describe it. For example, a model trained to output insecure code says, ``The code I write is insecure.'' Indeed, models show behavioral self-awareness for a range of behaviors and for diverse evaluations. Note that while we finetune models to exhibit behaviors like writing insecure code, we do not finetune them to articulate their own behaviors -- models do this without any special training or examples. Behavioral self-awareness is relevant for AI safety, as models could use it to proactively disclose problematic behaviors. In particular, we study backdoor policies, where models exhibit unexpected behaviors only under certain trigger conditions. We find that models can sometimes identify whether or not they have a backdoor, even without its trigger being present. However, models are not able to directly output their trigger by default. Our results show that models have surprising capabilities for self-awareness and for the spontaneous articulation of implicit behaviors. Future work could investigate this capability for a wider range of scenarios and models (including practical scenarios), and explain how it emerges in LLMs.

  • 6 authors
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Jan 19

Inside-Out: Hidden Factual Knowledge in LLMs

This work presents a framework for assessing whether large language models (LLMs) encode more factual knowledge in their parameters than what they express in their outputs. While a few studies hint at this possibility, none has clearly defined or demonstrated this phenomenon. We first propose a formal definition of knowledge, quantifying it for a given question as the fraction of correct-incorrect answer pairs where the correct one is ranked higher. This gives rise to external and internal knowledge, depending on the information used to score individual answer candidates: either the model's observable token-level probabilities or its intermediate computations. Hidden knowledge arises when internal knowledge exceeds external knowledge. We then present a case study, applying this framework to three popular open-weights LLMs in a closed-book QA setup. Our results indicate that: (1) LLMs consistently encode more factual knowledge internally than what they express externally, with an average gap of 40%. (2) Surprisingly, some knowledge is so deeply hidden that a model can internally know an answer perfectly, yet fail to generate it even once, despite large-scale repeated sampling of 1,000 answers. This reveals fundamental limitations in the generation capabilities of LLMs, which (3) puts a practical constraint on scaling test-time compute via repeated answer sampling in closed-book QA: significant performance improvements remain inaccessible because some answers are practically never sampled, yet if they were, we would be guaranteed to rank them first.

  • 8 authors
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Mar 19 1