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Aug 27

Energy-Based Concept Bottleneck Models: Unifying Prediction, Concept Intervention, and Probabilistic Interpretations

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

  • 5 authors
·
Jan 25, 2024

Can we Constrain Concept Bottleneck Models to Learn Semantically Meaningful Input Features?

Concept Bottleneck Models (CBMs) are regarded as inherently interpretable because they first predict a set of human-defined concepts which are used to predict a task label. For inherent interpretability to be fully realised, and ensure trust in a model's output, it's desirable for concept predictions to use semantically meaningful input features. For instance, in an image, pixels representing a broken bone should contribute to predicting a fracture. However, current literature suggests that concept predictions often rely on irrelevant input features. We hypothesise that this occurs when dataset labels include inaccurate concept annotations, or the relationship between input features and concepts is unclear. In general, the effect of dataset labelling on concept representations remains an understudied area. In this paper, we demonstrate that CBMs can learn to map concepts to semantically meaningful input features, by utilising datasets with a clear link between the input features and the desired concept predictions. This is achieved, for instance, by ensuring multiple concepts do not always co-occur and, therefore provide a clear training signal for the CBM to distinguish the relevant input features for each concept. We validate our hypothesis on both synthetic and real-world image datasets, and demonstrate under the correct conditions, CBMs can learn to attribute semantically meaningful input features to the correct concept predictions.

  • 4 authors
·
Feb 1, 2024

RealEra: Semantic-level Concept Erasure via Neighbor-Concept Mining

The remarkable development of text-to-image generation models has raised notable security concerns, such as the infringement of portrait rights and the generation of inappropriate content. Concept erasure has been proposed to remove the model's knowledge about protected and inappropriate concepts. Although many methods have tried to balance the efficacy (erasing target concepts) and specificity (retaining irrelevant concepts), they can still generate abundant erasure concepts under the steering of semantically related inputs. In this work, we propose RealEra to address this "concept residue" issue. Specifically, we first introduce the mechanism of neighbor-concept mining, digging out the associated concepts by adding random perturbation into the embedding of erasure concept, thus expanding the erasing range and eliminating the generations even through associated concept inputs. Furthermore, to mitigate the negative impact on the generation of irrelevant concepts caused by the expansion of erasure scope, RealEra preserves the specificity through the beyond-concept regularization. This makes irrelevant concepts maintain their corresponding spatial position, thereby preserving their normal generation performance. We also employ the closed-form solution to optimize weights of U-Net for the cross-attention alignment, as well as the prediction noise alignment with the LoRA module. Extensive experiments on multiple benchmarks demonstrate that RealEra outperforms previous concept erasing methods in terms of superior erasing efficacy, specificity, and generality. More details are available on our project page https://realerasing.github.io/RealEra/ .

  • 8 authors
·
Oct 11, 2024

A Deep Learning Framework for Lifelong Machine Learning

Humans can learn a variety of concepts and skills incrementally over the course of their lives while exhibiting many desirable properties, such as continual learning without forgetting, forward transfer and backward transfer of knowledge, and learning a new concept or task with only a few examples. Several lines of machine learning research, such as lifelong machine learning, few-shot learning, and transfer learning attempt to capture these properties. However, most previous approaches can only demonstrate subsets of these properties, often by different complex mechanisms. In this work, we propose a simple yet powerful unified deep learning framework that supports almost all of these properties and approaches through one central mechanism. Experiments on toy examples support our claims. We also draw connections between many peculiarities of human learning (such as memory loss and "rain man") and our framework. As academics, we often lack resources required to build and train, deep neural networks with billions of parameters on hundreds of TPUs. Thus, while our framework is still conceptual, and our experiment results are surely not SOTA, we hope that this unified lifelong learning framework inspires new work towards large-scale experiments and understanding human learning in general. This paper is summarized in two short YouTube videos: https://youtu.be/gCuUyGETbTU (part 1) and https://youtu.be/XsaGI01b-1o (part 2).

  • 2 authors
·
Apr 30, 2021

Concept-Based Explainable Artificial Intelligence: Metrics and Benchmarks

Concept-based explanation methods, such as concept bottleneck models (CBMs), aim to improve the interpretability of machine learning models by linking their decisions to human-understandable concepts, under the critical assumption that such concepts can be accurately attributed to the network's feature space. However, this foundational assumption has not been rigorously validated, mainly because the field lacks standardised metrics and benchmarks to assess the existence and spatial alignment of such concepts. To address this, we propose three metrics: the concept global importance metric, the concept existence metric, and the concept location metric, including a technique for visualising concept activations, i.e., concept activation mapping. We benchmark post-hoc CBMs to illustrate their capabilities and challenges. Through qualitative and quantitative experiments, we demonstrate that, in many cases, even the most important concepts determined by post-hoc CBMs are not present in input images; moreover, when they are present, their saliency maps fail to align with the expected regions by either activating across an entire object or misidentifying relevant concept-specific regions. We analyse the root causes of these limitations, such as the natural correlation of concepts. Our findings underscore the need for more careful application of concept-based explanation techniques especially in settings where spatial interpretability is critical.

  • 3 authors
·
Jan 31, 2025

Rethinking Positive Pairs in Contrastive Learning

Contrastive learning, a prominent approach to representation learning, traditionally assumes positive pairs are closely related samples (the same image or class) and negative pairs are distinct samples. We challenge this assumption by proposing to learn from arbitrary pairs, allowing any pair of samples to be positive within our framework.The primary challenge of the proposed approach lies in applying contrastive learning to disparate pairs which are semantically distant. Motivated by the discovery that SimCLR can separate given arbitrary pairs (e.g., garter snake and table lamp) in a subspace, we propose a feature filter in the condition of class pairs that creates the requisite subspaces by gate vectors selectively activating or deactivating dimensions. This filter can be optimized through gradient descent within a conventional contrastive learning mechanism. We present Hydra, a universal contrastive learning framework for visual representations that extends conventional contrastive learning to accommodate arbitrary pairs. Our approach is validated using IN1K, where 1K diverse classes compose 500,500 pairs, most of them being distinct. Surprisingly, Hydra achieves superior performance in this challenging setting. Additional benefits include the prevention of dimensional collapse and the discovery of class relationships. Our work highlights the value of learning common features of arbitrary pairs and potentially broadens the applicability of contrastive learning techniques on the sample pairs with weak relationships.

  • 6 authors
·
Oct 23, 2024

Concepts in Motion: Temporal Bottlenecks for Interpretable Video Classification

Conceptual models such as Concept Bottleneck Models (CBMs) have driven substantial progress in improving interpretability for image classification by leveraging human-interpretable concepts. However, extending these models from static images to sequences of images, such as video data, introduces a significant challenge due to the temporal dependencies inherent in videos, which are essential for capturing actions and events. In this work, we introduce MoTIF (Moving Temporal Interpretable Framework), an architectural design inspired by a transformer that adapts the concept bottleneck framework for video classification and handles sequences of arbitrary length. Within the video domain, concepts refer to semantic entities such as objects, attributes, or higher-level components (e.g., 'bow', 'mount', 'shoot') that reoccur across time - forming motifs collectively describing and explaining actions. Our design explicitly enables three complementary perspectives: global concept importance across the entire video, local concept relevance within specific windows, and temporal dependencies of a concept over time. Our results demonstrate that the concept-based modeling paradigm can be effectively transferred to video data, enabling a better understanding of concept contributions in temporal contexts while maintaining competitive performance. Code available at github.com/patrick-knab/MoTIF.

  • 5 authors
·
Sep 25, 2025

The Consciousness Prior

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

  • 1 authors
·
Sep 25, 2017

Interactive Medical Image Analysis with Concept-based Similarity Reasoning

The ability to interpret and intervene model decisions is important for the adoption of computer-aided diagnosis methods in clinical workflows. Recent concept-based methods link the model predictions with interpretable concepts and modify their activation scores to interact with the model. However, these concepts are at the image level, which hinders the model from pinpointing the exact patches the concepts are activated. Alternatively, prototype-based methods learn representations from training image patches and compare these with test image patches, using the similarity scores for final class prediction. However, interpreting the underlying concepts of these patches can be challenging and often necessitates post-hoc guesswork. To address this issue, this paper introduces the novel Concept-based Similarity Reasoning network (CSR), which offers (i) patch-level prototype with intrinsic concept interpretation, and (ii) spatial interactivity. First, the proposed CSR provides localized explanation by grounding prototypes of each concept on image regions. Second, our model introduces novel spatial-level interaction, allowing doctors to engage directly with specific image areas, making it an intuitive and transparent tool for medical imaging. CSR improves upon prior state-of-the-art interpretable methods by up to 4.5\% across three biomedical datasets. Our code is released at https://github.com/tadeephuy/InteractCSR.

  • 10 authors
·
Mar 9, 2025

Correlation-Weighted Multi-Reward Optimization for Compositional Generation

Text-to-image models produce images that align well with natural language prompts, but compositional generation has long been a central challenge. Models often struggle to satisfy multiple concepts within a single prompt, frequently omitting some concepts and resulting in partial success. Such failures highlight the difficulty of jointly optimizing multiple concepts during reward optimization, where competing concepts can interfere with one another. To address this limitation, we propose Correlation-Weighted Multi-Reward Optimization (\ours), a framework that leverages the correlation structure among concept rewards to adaptively weight each attribute concept in optimization. By accounting for interactions among concepts, \ours balances competing reward signals and emphasizes concepts that are partially satisfied yet inconsistently generated across samples, improving compositional generation. Specifically, we decompose multi-concept prompts into pre-defined concept groups (\eg, objects, attributes, and relations) and obtain reward signals from dedicated reward models for each concept. We then adaptively reweight these rewards, assigning higher weights to conflicting or hard-to-satisfy concepts using correlation-based difficulty estimation. By focusing optimization on the most challenging concepts within each group, \ours encourages the model to consistently satisfy all requested attributes simultaneously. We apply our approach to train state-of-the-art diffusion models, SD3.5 and FLUX.1-dev, and demonstrate consistent improvements on challenging multi-concept benchmarks, including ConceptMix, GenEval 2, and T2I-CompBench.

  • 3 authors
·
Mar 18

Discover-then-Name: Task-Agnostic Concept Bottlenecks via Automated Concept Discovery

Concept Bottleneck Models (CBMs) have recently been proposed to address the 'black-box' problem of deep neural networks, by first mapping images to a human-understandable concept space and then linearly combining concepts for classification. Such models typically require first coming up with a set of concepts relevant to the task and then aligning the representations of a feature extractor to map to these concepts. However, even with powerful foundational feature extractors like CLIP, there are no guarantees that the specified concepts are detectable. In this work, we leverage recent advances in mechanistic interpretability and propose a novel CBM approach -- called Discover-then-Name-CBM (DN-CBM) -- that inverts the typical paradigm: instead of pre-selecting concepts based on the downstream classification task, we use sparse autoencoders to first discover concepts learnt by the model, and then name them and train linear probes for classification. Our concept extraction strategy is efficient, since it is agnostic to the downstream task, and uses concepts already known to the model. We perform a comprehensive evaluation across multiple datasets and CLIP architectures and show that our method yields semantically meaningful concepts, assigns appropriate names to them that make them easy to interpret, and yields performant and interpretable CBMs. Code available at https://github.com/neuroexplicit-saar/discover-then-name.

  • 4 authors
·
Jul 19, 2024

IDEAgent: Agentic Quality-Diversity Search for Research Idea Generation

Large Language Models (LLMs) have significantly automated the process of scientific discovery over the past few years. However, existing systems share one core limitation: they generate and optimize ideas independently for either Quality or Diversity. This often leads to the generation of ideas in close proximity to one another or to a large set of trivial, unsound, or unclear concepts. In this work, we instead argue that research ideation should be treated as a conjunction of both objectives and framed as a Quality-Diversity (QD) search. In line with this perspective, we introduce IDEAgent, a multi-agent framework that manages the evolution of ideas through lineages. We jointly drive Quality using multi-objective feedback for dedicated repair and refinement, while Diversity is achieved through lightweight sequential memory and explicit comparison against completed ideas, their historical ancestors, and rejected proposals. To systematically evaluate this QD conjunction, we develop Yield, a joint metric that computes the largest set of mutually diverse ideas that satisfy a predetermined quality threshold. Finally, through evaluations across 32 topics spanning 8 domains of Computer Science, we show that IDEAgent outperforms the best baseline by 3.89x on Yield, while achieving non-zero Yield on 8x more topics. We further corroborate these findings through an analysis of quality improvements, showing that repair and refinement are crucial for building logical rigor and clarity while preserving non-obviousness. To encourage future research on QD-search-based ideation, we open-source IDEAgent at https://github.com/declare-lab/IDEAgent.

A Holistic Approach to Unifying Automatic Concept Extraction and Concept Importance Estimation

In recent years, concept-based approaches have emerged as some of the most promising explainability methods to help us interpret the decisions of Artificial Neural Networks (ANNs). These methods seek to discover intelligible visual 'concepts' buried within the complex patterns of ANN activations in two key steps: (1) concept extraction followed by (2) importance estimation. While these two steps are shared across methods, they all differ in their specific implementations. Here, we introduce a unifying theoretical framework that comprehensively defines and clarifies these two steps. This framework offers several advantages as it allows us: (i) to propose new evaluation metrics for comparing different concept extraction approaches; (ii) to leverage modern attribution methods and evaluation metrics to extend and systematically evaluate state-of-the-art concept-based approaches and importance estimation techniques; (iii) to derive theoretical guarantees regarding the optimality of such methods. We further leverage our framework to try to tackle a crucial question in explainability: how to efficiently identify clusters of data points that are classified based on a similar shared strategy. To illustrate these findings and to highlight the main strategies of a model, we introduce a visual representation called the strategic cluster graph. Finally, we present https://serre-lab.github.io/Lens, a dedicated website that offers a complete compilation of these visualizations for all classes of the ImageNet dataset.

  • 8 authors
·
Jun 11, 2023

Beyond Heuristic Prompting: A Concept-Guided Bayesian Framework for Zero-Shot Image Recognition

Vision-Language Models (VLMs), such as CLIP, have significantly advanced zero-shot image recognition. However, their performance remains limited by suboptimal prompt engineering and poor adaptability to target classes. While recent methods attempt to improve prompts through diverse class descriptions, they often rely on heuristic designs, lack versatility, and are vulnerable to outlier prompts. This paper enhances prompt by incorporating class-specific concepts. By treating concepts as latent variables, we rethink zero-shot image classification from a Bayesian perspective, casting prediction as marginalization over the concept space, where each concept is weighted by a prior and a test-image conditioned likelihood. This formulation underscores the importance of both a well-structured concept proposal distribution and the refinement of concept priors. To construct an expressive and efficient proposal distribution, we introduce a multi-stage concept synthesis pipeline driven by LLMs to generate discriminative and compositional concepts, followed by a Determinantal Point Process to enforce diversity. To mitigate the influence of outlier concepts, we propose a training-free, adaptive soft-trim likelihood, which attenuates their impact in a single forward pass. We further provide robustness guarantees and derive multi-class excess risk bounds for our framework. Extensive experiments demonstrate that our method consistently outperforms state-of-the-art approaches, validating its effectiveness in zero-shot image classification. Our code is available at https://github.com/less-and-less-bugs/CGBC.

  • 6 authors
·
Mar 8

ViLLA: Fine-Grained Vision-Language Representation Learning from Real-World Data

Vision-language models (VLMs), such as CLIP and ALIGN, are generally trained on datasets consisting of image-caption pairs obtained from the web. However, real-world multimodal datasets, such as healthcare data, are significantly more complex: each image (e.g. X-ray) is often paired with text (e.g. physician report) that describes many distinct attributes occurring in fine-grained regions of the image. We refer to these samples as exhibiting high pairwise complexity, since each image-text pair can be decomposed into a large number of region-attribute pairings. The extent to which VLMs can capture fine-grained relationships between image regions and textual attributes when trained on such data has not been previously evaluated. The first key contribution of this work is to demonstrate through systematic evaluations that as the pairwise complexity of the training dataset increases, standard VLMs struggle to learn region-attribute relationships, exhibiting performance degradations of up to 37% on retrieval tasks. In order to address this issue, we introduce ViLLA as our second key contribution. ViLLA, which is trained to capture fine-grained region-attribute relationships from complex datasets, involves two components: (a) a lightweight, self-supervised mapping model to decompose image-text samples into region-attribute pairs, and (b) a contrastive VLM to learn representations from generated region-attribute pairs. We demonstrate with experiments across four domains (synthetic, product, medical, and natural images) that ViLLA outperforms comparable VLMs on fine-grained reasoning tasks, such as zero-shot object detection (up to 3.6 AP50 points on COCO and 0.6 mAP points on LVIS) and retrieval (up to 14.2 R-Precision points).

  • 5 authors
·
Aug 22, 2023

Overlooked factors in concept-based explanations: Dataset choice, concept learnability, and human capability

Concept-based interpretability methods aim to explain deep neural network model predictions using a predefined set of semantic concepts. These methods evaluate a trained model on a new, "probe" dataset and correlate model predictions with the visual concepts labeled in that dataset. Despite their popularity, they suffer from limitations that are not well-understood and articulated by the literature. In this work, we analyze three commonly overlooked factors in concept-based explanations. First, the choice of the probe dataset has a profound impact on the generated explanations. Our analysis reveals that different probe datasets may lead to very different explanations, and suggests that the explanations are not generalizable outside the probe dataset. Second, we find that concepts in the probe dataset are often less salient and harder to learn than the classes they claim to explain, calling into question the correctness of the explanations. We argue that only visually salient concepts should be used in concept-based explanations. Finally, while existing methods use hundreds or even thousands of concepts, our human studies reveal a much stricter upper bound of 32 concepts or less, beyond which the explanations are much less practically useful. We make suggestions for future development and analysis of concept-based interpretability methods. Code for our analysis and user interface can be found at https://github.com/princetonvisualai/OverlookedFactors

  • 4 authors
·
Jul 19, 2022

Verified LLM-Driven Synthesis for Concept Design

Concept Design structures software systems around concepts: user-facing, self-contained units of functionality with a focused purpose. Concepts are composed into applications using synchronization rules called reactions, which specify how actions in one concept trigger actions in others. This paper first gives a formal semantics for concepts and reactions, enabling automatic verification of safety invariants in applications developed with this methodology. It then presents a CEGIS-style, LLM-driven synthesis procedure for generating reaction designs that satisfy such invariants. Because many different designs can satisfy the same invariant, we study two ways of steering synthesis toward the user's intended design: natural-language prompts and positive/negative scenarios. We also propose an LLM-driven scenario elicitation technique to support early design exploration. In an evaluation on three applications and twelve design variants using one LLM configuration, invariant-only synthesis reached verified designs quickly but often produced inconsistent designs across runs, some of which were implausible, showing that invariants alone underconstrain the design task. Scenario-guided synthesis recovered intended designs more consistently than natural-language prompting, although minimal scenarios can lead to overfitting. LLM-driven scenario elicitation, where the user classifies proposed scenarios rather than authoring them from scratch, recovered the intended designs in most variants when enough scenarios were elicited, but missed behaviors and non-determinism prevented reliable coverage in all cases.

  • 1 authors
·
Jul 16

Unlocking Compositional Generalization in Continual Few-Shot Learning

Object-centric representations promise a key property for few-shot learning: Rather than treating a scene as a single unit, a model can decompose it into individual object-level parts that can be matched and compared across different concepts. In practice, this potential is rarely realized. Continual learners either collapse scenes into global embeddings, or train with part-level matching objectives that tie representations too closely to seen patterns, leaving them unable to generalize to truly novel concepts. In this paper, we identify this fundamental structural conflict and pioneer a new paradigm that strictly decouples representation learning from compositional inference. Leveraging the inherent patch-level semantic geometry of self-supervised Vision Transformers (ViTs), our framework employs a dual-phase strategy. During training, slot representations are optimized entirely toward holistic class identity, preserving highly generalizable, object-level geometries. At inference, preserved slots are dynamically composed to match novel scenes. We demonstrate that this paradigm offers dual structural benefits: The frozen backbone naturally prevents representation drift, while our lightweight, holistic optimization preserves the features' capacity for novel-concept transfer. Extensive experiments validate this approach, achieving state-of-the-art unseen-concept generalization and minimal forgetting across standard continual learning benchmarks.

  • 6 authors
·
May 17

UniCTokens: Boosting Personalized Understanding and Generation via Unified Concept Tokens

Personalized models have demonstrated remarkable success in understanding and generating concepts provided by users. However, existing methods use separate concept tokens for understanding and generation, treating these tasks in isolation. This may result in limitations for generating images with complex prompts. For example, given the concept langle borangle, generating "langle borangle wearing its hat" without additional textual descriptions of its hat. We call this kind of generation \textbf{personalized attribute-reasoning generation}. To address the limitation, we present UniCTokens, a novel framework that effectively integrates personalized information into a unified vision language model (VLM) for understanding and generation. UniCTokens trains a set of unified concept tokens to leverage complementary semantics, boosting two personalized tasks. Moreover, we propose a progressive training strategy with three stages: understanding warm-up, bootstrapping generation from understanding, and deepening understanding from generation to enhance mutual benefits between both tasks. To quantitatively evaluate the unified VLM personalization, we present UnifyBench, the first benchmark for assessing concept understanding, concept generation, and attribute-reasoning generation. Experimental results on UnifyBench indicate that UniCTokens shows competitive performance compared to leading methods in concept understanding, concept generation, and achieving state-of-the-art results in personalized attribute-reasoning generation. Our research demonstrates that enhanced understanding improves generation, and the generation process can yield valuable insights into understanding. Our code and dataset will be released at: https://github.com/arctanxarc/UniCTokens{https://github.com/arctanxarc/UniCTokens}.

  • 13 authors
·
May 20, 2025

Relational Visual Similarity

Humans do not just see attribute similarity -- we also see relational similarity. An apple is like a peach because both are reddish fruit, but the Earth is also like a peach: its crust, mantle, and core correspond to the peach's skin, flesh, and pit. This ability to perceive and recognize relational similarity, is arguable by cognitive scientist to be what distinguishes humans from other species. Yet, all widely used visual similarity metrics today (e.g., LPIPS, CLIP, DINO) focus solely on perceptual attribute similarity and fail to capture the rich, often surprising relational similarities that humans perceive. How can we go beyond the visible content of an image to capture its relational properties? How can we bring images with the same relational logic closer together in representation space? To answer these questions, we first formulate relational image similarity as a measurable problem: two images are relationally similar when their internal relations or functions among visual elements correspond, even if their visual attributes differ. We then curate 114k image-caption dataset in which the captions are anonymized -- describing the underlying relational logic of the scene rather than its surface content. Using this dataset, we finetune a Vision-Language model to measure the relational similarity between images. This model serves as the first step toward connecting images by their underlying relational structure rather than their visible appearance. Our study shows that while relational similarity has a lot of real-world applications, existing image similarity models fail to capture it -- revealing a critical gap in visual computing.

  • 9 authors
·
Dec 8, 2025 3

ConceptExpress: Harnessing Diffusion Models for Single-image Unsupervised Concept Extraction

While personalized text-to-image generation has enabled the learning of a single concept from multiple images, a more practical yet challenging scenario involves learning multiple concepts within a single image. However, existing works tackling this scenario heavily rely on extensive human annotations. In this paper, we introduce a novel task named Unsupervised Concept Extraction (UCE) that considers an unsupervised setting without any human knowledge of the concepts. Given an image that contains multiple concepts, the task aims to extract and recreate individual concepts solely relying on the existing knowledge from pretrained diffusion models. To achieve this, we present ConceptExpress that tackles UCE by unleashing the inherent capabilities of pretrained diffusion models in two aspects. Specifically, a concept localization approach automatically locates and disentangles salient concepts by leveraging spatial correspondence from diffusion self-attention; and based on the lookup association between a concept and a conceptual token, a concept-wise optimization process learns discriminative tokens that represent each individual concept. Finally, we establish an evaluation protocol tailored for the UCE task. Extensive experiments demonstrate that ConceptExpress is a promising solution to the UCE task. Our code and data are available at: https://github.com/haoosz/ConceptExpress

  • 5 authors
·
Jul 9, 2024

Impact of Pretraining Word Co-occurrence on Compositional Generalization in Multimodal Models

CLIP and large multimodal models (LMMs) have better accuracy on examples involving concepts that are highly represented in the training data. However, the role of concept combinations in the training data on compositional generalization is largely unclear -- for instance, how does accuracy vary when a common object appears in an uncommon pairing with another object? In this paper, we investigate how word co-occurrence statistics in the pretraining dataset (a proxy for co-occurrence of visual concepts) impacts CLIP/LMM performance. To disentangle the effects of word co-occurrence frequencies from single-word frequencies, we measure co-occurrence with pointwise mutual information (PMI), which normalizes the joint probability of two words co-occurring by the probability of co-occurring independently. Using synthetically generated images with a variety of concept pairs, we show a strong correlation between PMI in the CLIP pretraining data and zero-shot accuracy in CLIP models trained on LAION-400M (r=0.97 and 14% accuracy gap between images in the top and bottom 5% of PMI values), demonstrating that even accuracy on common concepts is affected by the combination of concepts in the image. Leveraging this finding, we reproduce this effect in natural images by editing them to contain pairs with varying PMI, resulting in a correlation of r=0.75. Finally, we demonstrate that this behavior in CLIP transfers to LMMs built on top of CLIP (r=0.70 for TextVQA, r=0.62 for VQAv2). Our findings highlight the need for algorithms and architectures that improve compositional generalization in multimodal models without scaling the training data combinatorially. Our code is available at https://github.com/helenqu/multimodal-pretraining-pmi.

  • 2 authors
·
Jul 10, 2025

Attention Calibration for Disentangled Text-to-Image Personalization

Recent thrilling progress in large-scale text-to-image (T2I) models has unlocked unprecedented synthesis quality of AI-generated content (AIGC) including image generation, 3D and video composition. Further, personalized techniques enable appealing customized production of a novel concept given only several images as reference. However, an intriguing problem persists: Is it possible to capture multiple, novel concepts from one single reference image? In this paper, we identify that existing approaches fail to preserve visual consistency with the reference image and eliminate cross-influence from concepts. To alleviate this, we propose an attention calibration mechanism to improve the concept-level understanding of the T2I model. Specifically, we first introduce new learnable modifiers bound with classes to capture attributes of multiple concepts. Then, the classes are separated and strengthened following the activation of the cross-attention operation, ensuring comprehensive and self-contained concepts. Additionally, we suppress the attention activation of different classes to mitigate mutual influence among concepts. Together, our proposed method, dubbed DisenDiff, can learn disentangled multiple concepts from one single image and produce novel customized images with learned concepts. We demonstrate that our method outperforms the current state of the art in both qualitative and quantitative evaluations. More importantly, our proposed techniques are compatible with LoRA and inpainting pipelines, enabling more interactive experiences.

  • 4 authors
·
Mar 27, 2024

EMMA: Concept Erasure Benchmark with Comprehensive Semantic Metrics and Diverse Categories

The widespread adoption of text-to-image (T2I) generation has raised concerns about privacy, bias, and copyright violations. Concept erasure techniques offer a promising solution by selectively removing undesired concepts from pre-trained models without requiring full retraining. However, these methods are often evaluated on a limited set of concepts, relying on overly simplistic and direct prompts. To test the boundaries of concept erasure techniques, and assess whether they truly remove targeted concepts from model representations, we introduce EMMA, a benchmark that evaluates five key dimensions of concept erasure over 13 metrics. EMMA goes beyond standard metrics like image quality and time efficiency, testing robustness under challenging conditions, including indirect descriptions, visually similar non-target concepts, and potential gender and ethnicity bias, providing a socially aware analysis of method behavior. Using EMMA, we analyze five concept erasure methods across five domains (objects, celebrities, art styles, NSFW, and copyright). Our results show that existing methods struggle with implicit prompts (i.e., generating the erased concept when it is indirectly referenced) and visually similar non-target concepts (i.e., failing to generate non-target concepts resembling the erased one), while some amplify gender and ethnicity bias compared to the original model. Code and prompts are available at https://github.com/lobsterlulu/EMMA.

  • 3 authors
·
Mar 30

OmniPrism: Learning Disentangled Visual Concept for Image Generation

Creative visual concept generation often draws inspiration from specific concepts in a reference image to produce relevant outcomes. However, existing methods are typically constrained to single-aspect concept generation or are easily disrupted by irrelevant concepts in multi-aspect concept scenarios, leading to concept confusion and hindering creative generation. To address this, we propose OmniPrism, a visual concept disentangling approach for creative image generation. Our method learns disentangled concept representations guided by natural language and trains a diffusion model to incorporate these concepts. We utilize the rich semantic space of a multimodal extractor to achieve concept disentanglement from given images and concept guidance. To disentangle concepts with different semantics, we construct a paired concept disentangled dataset (PCD-200K), where each pair shares the same concept such as content, style, and composition. We learn disentangled concept representations through our contrastive orthogonal disentangled (COD) training pipeline, which are then injected into additional diffusion cross-attention layers for generation. A set of block embeddings is designed to adapt each block's concept domain in the diffusion models. Extensive experiments demonstrate that our method can generate high-quality, concept-disentangled results with high fidelity to text prompts and desired concepts.

  • 7 authors
·
Dec 16, 2024

Uncovering Conceptual Blindspots in Generative Image Models Using Sparse Autoencoders

Despite their impressive performance, generative image models trained on large-scale datasets frequently fail to produce images with seemingly simple concepts -- e.g., human hands or objects appearing in groups of four -- that are reasonably expected to appear in the training data. These failure modes have largely been documented anecdotally, leaving open the question of whether they reflect idiosyncratic anomalies or more structural limitations of these models. To address this, we introduce a systematic approach for identifying and characterizing "conceptual blindspots" -- concepts present in the training data but absent or misrepresented in a model's generations. Our method leverages sparse autoencoders (SAEs) to extract interpretable concept embeddings, enabling a quantitative comparison of concept prevalence between real and generated images. We train an archetypal SAE (RA-SAE) on DINOv2 features with 32,000 concepts -- the largest such SAE to date -- enabling fine-grained analysis of conceptual disparities. Applied to four popular generative models (Stable Diffusion 1.5/2.1, PixArt, and Kandinsky), our approach reveals specific suppressed blindspots (e.g., bird feeders, DVD discs, and whitespaces on documents) and exaggerated blindspots (e.g., wood background texture and palm trees). At the individual datapoint level, we further isolate memorization artifacts -- instances where models reproduce highly specific visual templates seen during training. Overall, we propose a theoretically grounded framework for systematically identifying conceptual blindspots in generative models by assessing their conceptual fidelity with respect to the underlying data-generating process.

  • 4 authors
·
Jun 24, 2025

Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning

Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order. However, applying artificial intelligence to this process presents a joint challenge of representation and reasoning: models must preserve domain-native structural information while showing how specific evidence supports predictions under these constraints. Here we introduce SciReasoner, a multimodal scientific foundation model for native structural reasoning across proteins, small molecules and inorganic crystals. SciReasoner discretizes coordinates, topologies and periodic connectivities into a unified structure-aware vocabulary, treating structural tokens as addressable evidence units during reasoning. In homology-controlled Gene Ontology prediction, SciReasoner improves Cellular Component annotation for low-homology and orphan-like proteins, increasing F_{max} from 0.42 to 0.55. In chemistry, it raises single-step retrosynthesis accuracy from 0.63 to 0.72 while generating fragment-level disconnection and precursor-verification traces. In materials science, its representations separate elemental and compound phases and resolve high- and low-band-gap regimes. Across 86 benchmarks, SciReasoner achieves state-of-the-art performance on 67 tasks. Double-blind expert evaluation rates its reasoning traces as preferred or at least comparable to those of a frontier large language model in 98% of cases. By making structure an inspectable substrate for reasoning under scientific constraints, SciReasoner connects accurate prediction with interpretable scientific inference.

The Tensor Brain: Semantic Decoding for Perception and Memory

We analyse perception and memory, using mathematical models for knowledge graphs and tensors, to gain insights into the corresponding functionalities of the human mind. Our discussion is based on the concept of propositional sentences consisting of subject-predicate-object (SPO) triples for expressing elementary facts. SPO sentences are the basis for most natural languages but might also be important for explicit perception and declarative memories, as well as intra-brain communication and the ability to argue and reason. A set of SPO sentences can be described as a knowledge graph, which can be transformed into an adjacency tensor. We introduce tensor models, where concepts have dual representations as indices and associated embeddings, two constructs we believe are essential for the understanding of implicit and explicit perception and memory in the brain. We argue that a biological realization of perception and memory imposes constraints on information processing. In particular, we propose that explicit perception and declarative memories require a semantic decoder, which, in a simple realization, is based on four layers: First, a sensory memory layer, as a buffer for sensory input, second, an index layer representing concepts, third, a memoryless representation layer for the broadcasting of information ---the "blackboard", or the "canvas" of the brain--- and fourth, a working memory layer as a processing center and data buffer. We discuss the operations of the four layers and relate them to the global workspace theory. In a Bayesian brain interpretation, semantic memory defines the prior for observable triple statements. We propose that ---in evolution and during development--- semantic memory, episodic memory, and natural language evolved as emergent properties in agents' process to gain a deeper understanding of sensory information.

  • 4 authors
·
Jan 29, 2020

Large Concept Models: Language Modeling in a Sentence Representation Space

LLMs have revolutionized the field of artificial intelligence and have emerged as the de-facto tool for many tasks. The current established technology of LLMs is to process input and generate output at the token level. This is in sharp contrast to humans who operate at multiple levels of abstraction, well beyond single words, to analyze information and to generate creative content. In this paper, we present an attempt at an architecture which operates on an explicit higher-level semantic representation, which we name a concept. Concepts are language- and modality-agnostic and represent a higher level idea or action in a flow. Hence, we build a "Large Concept Model". In this study, as proof of feasibility, we assume that a concept corresponds to a sentence, and use an existing sentence embedding space, SONAR, which supports up to 200 languages in both text and speech modalities. The Large Concept Model is trained to perform autoregressive sentence prediction in an embedding space. We explore multiple approaches, namely MSE regression, variants of diffusion-based generation, and models operating in a quantized SONAR space. These explorations are performed using 1.6B parameter models and training data in the order of 1.3T tokens. We then scale one architecture to a model size of 7B parameters and training data of about 2.7T tokens. We perform an experimental evaluation on several generative tasks, namely summarization and a new task of summary expansion. Finally, we show that our model exhibits impressive zero-shot generalization performance to many languages, outperforming existing LLMs of the same size. The training code of our models is freely available.

  • 21 authors
·
Dec 11, 2024 1

Visual Genome: Connecting Language and Vision Using Crowdsourced Dense Image Annotations

Despite progress in perceptual tasks such as image classification, computers still perform poorly on cognitive tasks such as image description and question answering. Cognition is core to tasks that involve not just recognizing, but reasoning about our visual world. However, models used to tackle the rich content in images for cognitive tasks are still being trained using the same datasets designed for perceptual tasks. To achieve success at cognitive tasks, models need to understand the interactions and relationships between objects in an image. When asked "What vehicle is the person riding?", computers will need to identify the objects in an image as well as the relationships riding(man, carriage) and pulling(horse, carriage) in order to answer correctly that "the person is riding a horse-drawn carriage". In this paper, we present the Visual Genome dataset to enable the modeling of such relationships. We collect dense annotations of objects, attributes, and relationships within each image to learn these models. Specifically, our dataset contains over 100K images where each image has an average of 21 objects, 18 attributes, and 18 pairwise relationships between objects. We canonicalize the objects, attributes, relationships, and noun phrases in region descriptions and questions answer pairs to WordNet synsets. Together, these annotations represent the densest and largest dataset of image descriptions, objects, attributes, relationships, and question answers.

  • 12 authors
·
Feb 23, 2016

Localized Concept Erasure in Text-to-Image Diffusion Models via High-Level Representation Misdirection

Recent advances in text-to-image (T2I) diffusion models have seen rapid and widespread adoption. However, their powerful generative capabilities raise concerns about potential misuse for synthesizing harmful, private, or copyrighted content. To mitigate such risks, concept erasure techniques have emerged as a promising solution. Prior works have primarily focused on fine-tuning the denoising component (e.g., the U-Net backbone). However, recent causal tracing studies suggest that visual attribute information is localized in the early self-attention layers of the text encoder, indicating a potential alternative for concept erasing. Building on this insight, we conduct preliminary experiments and find that directly fine-tuning early layers can suppress target concepts but often degrades the generation quality of non-target concepts. To overcome this limitation, we propose High-Level Representation Misdirection (HiRM), which misdirects high-level semantic representations of target concepts in the text encoder toward designated vectors such as random directions or semantically defined directions (e.g., supercategories), while updating only early layers that contain causal states of visual attributes. Our decoupling strategy enables precise concept removal with minimal impact on unrelated concepts, as demonstrated by strong results on UnlearnCanvas and NSFW benchmarks across diverse targets (e.g., objects, styles, nudity). HiRM also preserves generative utility at low training cost, transfers to state-of-the-art architectures such as Flux without additional training, and shows synergistic effects with denoiser-based concept erasing methods.

  • 3 authors
·
Feb 23

Domain and Function: A Dual-Space Model of Semantic Relations and Compositions

Given appropriate representations of the semantic relations between carpenter and wood and between mason and stone (for example, vectors in a vector space model), a suitable algorithm should be able to recognize that these relations are highly similar (carpenter is to wood as mason is to stone; the relations are analogous). Likewise, with representations of dog, house, and kennel, an algorithm should be able to recognize that the semantic composition of dog and house, dog house, is highly similar to kennel (dog house and kennel are synonymous). It seems that these two tasks, recognizing relations and compositions, are closely connected. However, up to now, the best models for relations are significantly different from the best models for compositions. In this paper, we introduce a dual-space model that unifies these two tasks. This model matches the performance of the best previous models for relations and compositions. The dual-space model consists of a space for measuring domain similarity and a space for measuring function similarity. Carpenter and wood share the same domain, the domain of carpentry. Mason and stone share the same domain, the domain of masonry. Carpenter and mason share the same function, the function of artisans. Wood and stone share the same function, the function of materials. In the composition dog house, kennel has some domain overlap with both dog and house (the domains of pets and buildings). The function of kennel is similar to the function of house (the function of shelters). By combining domain and function similarities in various ways, we can model relations, compositions, and other aspects of semantics.

  • 1 authors
·
Sep 16, 2013

ConceptMix: A Compositional Image Generation Benchmark with Controllable Difficulty

Compositionality is a critical capability in Text-to-Image (T2I) models, as it reflects their ability to understand and combine multiple concepts from text descriptions. Existing evaluations of compositional capability rely heavily on human-designed text prompts or fixed templates, limiting their diversity and complexity, and yielding low discriminative power. We propose ConceptMix, a scalable, controllable, and customizable benchmark which automatically evaluates compositional generation ability of T2I models. This is done in two stages. First, ConceptMix generates the text prompts: concretely, using categories of visual concepts (e.g., objects, colors, shapes, spatial relationships), it randomly samples an object and k-tuples of visual concepts, then uses GPT4-o to generate text prompts for image generation based on these sampled concepts. Second, ConceptMix evaluates the images generated in response to these prompts: concretely, it checks how many of the k concepts actually appeared in the image by generating one question per visual concept and using a strong VLM to answer them. Through administering ConceptMix to a diverse set of T2I models (proprietary as well as open ones) using increasing values of k, we show that our ConceptMix has higher discrimination power than earlier benchmarks. Specifically, ConceptMix reveals that the performance of several models, especially open models, drops dramatically with increased k. Importantly, it also provides insight into the lack of prompt diversity in widely-used training datasets. Additionally, we conduct extensive human studies to validate the design of ConceptMix and compare our automatic grading with human judgement. We hope it will guide future T2I model development.

  • 5 authors
·
Aug 25, 2024

Sparse Concept Bottleneck Models: Gumbel Tricks in Contrastive Learning

We propose a novel architecture and method of explainable classification with Concept Bottleneck Models (CBMs). While SOTA approaches to Image Classification task work as a black box, there is a growing demand for models that would provide interpreted results. Such a models often learn to predict the distribution over class labels using additional description of this target instances, called concepts. However, existing Bottleneck methods have a number of limitations: their accuracy is lower than that of a standard model and CBMs require an additional set of concepts to leverage. We provide a framework for creating Concept Bottleneck Model from pre-trained multi-modal encoder and new CLIP-like architectures. By introducing a new type of layers known as Concept Bottleneck Layers, we outline three methods for training them: with ell_1-loss, contrastive loss and loss function based on Gumbel-Softmax distribution (Sparse-CBM), while final FC layer is still trained with Cross-Entropy. We show a significant increase in accuracy using sparse hidden layers in CLIP-based bottleneck models. Which means that sparse representation of concepts activation vector is meaningful in Concept Bottleneck Models. Moreover, with our Concept Matrix Search algorithm we can improve CLIP predictions on complex datasets without any additional training or fine-tuning. The code is available at: https://github.com/Andron00e/SparseCBM.

  • 4 authors
·
Apr 4, 2024

When are Lemons Purple? The Concept Association Bias of CLIP

Large-scale vision-language models such as CLIP have shown impressive performance on zero-shot image classification and image-to-text retrieval. However, such zero-shot performance of CLIP-based models does not realize in tasks that require a finer-grained correspondence between vision and language, such as Visual Question Answering (VQA). We investigate why this is the case, and report an interesting phenomenon of CLIP, which we call the Concept Association Bias (CAB), as a potential cause of the difficulty of applying CLIP to VQA and similar tasks. CAB is especially apparent when two concepts are present in the given image while a text prompt only contains a single concept. In such a case, we find that CLIP tends to treat input as a bag of concepts and attempts to fill in the other missing concept crossmodally, leading to an unexpected zero-shot prediction. For example, when asked for the color of a lemon in an image, CLIP predicts ``purple'' if the image contains a lemon and an eggplant. We demonstrate the Concept Association Bias of CLIP by showing that CLIP's zero-shot classification performance greatly suffers when there is a strong concept association between an object (e.g. lemon) and an attribute (e.g. its color). On the other hand, when the association between object and attribute is weak, we do not see this phenomenon. Furthermore, we show that CAB is significantly mitigated when we enable CLIP to learn deeper structure across image and text embeddings by adding an additional Transformer on top of CLIP and fine-tuning it on VQA. We find that across such fine-tuned variants of CLIP, the strength of CAB in a model predicts how well it performs on VQA.

  • 3 authors
·
Dec 22, 2022

Emergence of Hidden Capabilities: Exploring Learning Dynamics in Concept Space

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

  • 5 authors
·
Jun 27, 2024

CPC-VAR:Continual Personalized and Compositional Generation in Visual Autoregressive Models

Visual autoregressive (VAR) models have recently emerged as an efficient paradigm for text-to-image generation. Despite their strong generative capability, existing VAR-based personalization methods remain limited to static settings, failing to accommodate evolving user demands. In particular, sequential concept learning leads to severe catastrophic forgetting, while multi-concept synthesis often suffers from feature entanglement and attribute inconsistency. In this work, we present the first systematic study of continual personalized generation in VAR models. We identify two key challenges: (i) preserving previously learned concepts during sequential customization, and (ii) composing multiple personalized concepts in a controllable manner. To address these issues, we propose a unified framework with two core components. For continual single-concept learning, we introduce Gradient-based Concept Neuron Selection (GCNS), which identifies concept-relevant neurons and constrains only conflicting parameters across tasks, effectively mitigating forgetting without additional model expansion. For multi-concept synthesis, we propose a context-aware composition strategy that performs multi-branch feature modeling and localized cross-attention fusion guided by spatial conditions, enabling precise and disentangled concept composition. Extensive experiments demonstrate that our method significantly improves performance in long-sequence continual personalization while achieving superior results in multi-concept image synthesis compared to existing baselines. These findings highlight the potential of VAR models for scalable and controllable personalized generation.

  • 7 authors
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May 18

Concept Arithmetics for Circumventing Concept Inhibition in Diffusion Models

Motivated by ethical and legal concerns, the scientific community is actively developing methods to limit the misuse of Text-to-Image diffusion models for reproducing copyrighted, violent, explicit, or personal information in the generated images. Simultaneously, researchers put these newly developed safety measures to the test by assuming the role of an adversary to find vulnerabilities and backdoors in them. We use compositional property of diffusion models, which allows to leverage multiple prompts in a single image generation. This property allows us to combine other concepts, that should not have been affected by the inhibition, to reconstruct the vector, responsible for target concept generation, even though the direct computation of this vector is no longer accessible. We provide theoretical and empirical evidence why the proposed attacks are possible and discuss the implications of these findings for safe model deployment. We argue that it is essential to consider all possible approaches to image generation with diffusion models that can be employed by an adversary. Our work opens up the discussion about the implications of concept arithmetics and compositional inference for safety mechanisms in diffusion models. Content Advisory: This paper contains discussions and model-generated content that may be considered offensive. Reader discretion is advised. Project page: https://cs-people.bu.edu/vpetsiuk/arc

  • 2 authors
·
Apr 21, 2024

Navigating Ideation Space: Decomposed Conceptual Representations for Positioning Scientific Ideas

Scientific discovery is a cumulative process and requires new ideas to be situated within an ever-expanding landscape of existing knowledge. An emerging and critical challenge is how to identify conceptually relevant prior work from rapidly growing literature, and assess how a new idea differentiates from existing research. Current embedding approaches typically conflate distinct conceptual aspects into single representations and cannot support fine-grained literature retrieval; meanwhile, LLM-based evaluators are subject to sycophancy biases, failing to provide discriminative novelty assessment. To tackle these challenges, we introduce the Ideation Space, a structured representation that decomposes scientific knowledge into three distinct dimensions, i.e., research problem, methodology, and core findings, each learned through contrastive training. This framework enables principled measurement of conceptual distance between ideas, and modeling of ideation transitions that capture the logical connections within a proposed idea. Building upon this representation, we propose a Hierarchical Sub-Space Retrieval framework for efficient, targeted literature retrieval, and a Decomposed Novelty Assessment algorithm that identifies which aspects of an idea are novel. Extensive experiments demonstrate substantial improvements, where our approach achieves Recall@30 of 0.329 (16.7% over baselines), our ideation transition retrieval reaches Hit Rate@30 of 0.643, and novelty assessment attains 0.37 correlation with expert judgments. In summary, our work provides a promising paradigm for future research on accelerating and evaluating scientific discovery.

  • 4 authors
·
Jan 13

All but One: Surgical Concept Erasing with Model Preservation in Text-to-Image Diffusion Models

Text-to-Image models such as Stable Diffusion have shown impressive image generation synthesis, thanks to the utilization of large-scale datasets. However, these datasets may contain sexually explicit, copyrighted, or undesirable content, which allows the model to directly generate them. Given that retraining these large models on individual concept deletion requests is infeasible, fine-tuning algorithms have been developed to tackle concept erasing in diffusion models. While these algorithms yield good concept erasure, they all present one of the following issues: 1) the corrupted feature space yields synthesis of disintegrated objects, 2) the initially synthesized content undergoes a divergence in both spatial structure and semantics in the generated images, and 3) sub-optimal training updates heighten the model's susceptibility to utility harm. These issues severely degrade the original utility of generative models. In this work, we present a new approach that solves all of these challenges. We take inspiration from the concept of classifier guidance and propose a surgical update on the classifier guidance term while constraining the drift of the unconditional score term. Furthermore, our algorithm empowers the user to select an alternative to the erasing concept, allowing for more controllability. Our experimental results show that our algorithm not only erases the target concept effectively but also preserves the model's generation capability.

  • 3 authors
·
Dec 20, 2023

Linguistic and Structural Basis of Engineering Design Knowledge

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

  • 2 authors
·
Dec 11, 2023

Implicit Concept Removal of Diffusion Models

Text-to-image (T2I) diffusion models often inadvertently generate unwanted concepts such as watermarks and unsafe images. These concepts, termed as the "implicit concepts", could be unintentionally learned during training and then be generated uncontrollably during inference. Existing removal methods still struggle to eliminate implicit concepts primarily due to their dependency on the model's ability to recognize concepts it actually can not discern. To address this, we utilize the intrinsic geometric characteristics of implicit concepts and present the Geom-Erasing, a novel concept removal method based on the geometric-driven control. Specifically, once an unwanted implicit concept is identified, we integrate the existence and geometric information of the concept into the text prompts with the help of an accessible classifier or detector model. Subsequently, the model is optimized to identify and disentangle this information, which is then adopted as negative prompts during generation. Moreover, we introduce the Implicit Concept Dataset (ICD), a novel image-text dataset imbued with three typical implicit concepts (i.e., QR codes, watermarks, and text), reflecting real-life situations where implicit concepts are easily injected. Geom-Erasing effectively mitigates the generation of implicit concepts, achieving the state-of-the-art results on the Inappropriate Image Prompts (I2P) and our challenging Implicit Concept Dataset (ICD) benchmarks.

  • 9 authors
·
Oct 9, 2023

Digital Gene: Learning about the Physical World through Analytic Concepts

Reviewing the progress in artificial intelligence over the past decade, various significant advances (e.g. object detection, image generation, large language models) have enabled AI systems to produce more semantically meaningful outputs and achieve widespread adoption in internet scenarios. Nevertheless, AI systems still struggle when it comes to understanding and interacting with the physical world. This reveals an important issue: relying solely on semantic-level concepts learned from internet data (e.g. texts, images) to understand the physical world is far from sufficient -- machine intelligence currently lacks an effective way to learn about the physical world. This research introduces the idea of analytic concept -- representing the concepts related to the physical world through programs of mathematical procedures, providing machine intelligence a portal to perceive, reason about, and interact with the physical world. Except for detailing the design philosophy and providing guidelines for the application of analytic concepts, this research also introduce about the infrastructure that has been built around analytic concepts. I aim for my research to contribute to addressing these questions: What is a proper abstraction of general concepts in the physical world for machine intelligence? How to systematically integrate structured priors with neural networks to constrain AI systems to comply with physical laws?

  • 2 authors
·
Apr 5, 2025

CrystalReasoner: Reasoning and RL for Property-Conditioned Crystal Structure Generation

Generative modeling has emerged as a promising approach for crystal structure discovery. However, existing LLM-based generative models struggle with low-level atomic precision, while diffusion-based methods fall short in integrating high-level scientific knowledge. As a result, generated structures are often invalid, unstable, or do not possess desirable properties. To address this gap, we propose CrystalReasoner (\method), an end-to-end LLM framework that generates crystal structures from natural language instructions through reasoning and alignment. \method introduces physical priors as thinking tokens, which include crystallographic symmetry, local coordination environments and predicted physical properties before generating atomic coordinates. This bridges the gap between natural language and 3D structures. \method then employs reinforcement learning (RL) with a multi-objective, dense reward function to align generation with physical validity, chemical consistency, and thermodynamic stability. For property-conditioned tasks, we design task-specific reward functions and train specialized models for discrete constraints (e.g., space group) and continuous properties (e.g., elasticity, thermal expansion). Empirical results demonstrate that compared to prior works and baselines without thinking traces or RL, \method obtains better performance on diverse metrics, triples S.U.N. ratio, and achieves better performance for property conditioned generation. \method also exhibits adaptive reasoning, increasing reasoning lengths as the number of atoms increases. Our work demonstrates the potential of leveraging thinking traces and RL for generating valid, stable, and property-conditioned crystal structures. Please see our work at https://crystalreasoner.github.io/ .

  • 4 authors
·
May 13

Agentic Proof and Property-Based Testing via Property-Templates in Data-Intensive Computing

As the cost of code generation becomes cheaper with AI, the new bottleneck in software engineering has shifted to intent specification and validation. Overcoming this durability crisis of AI-driven coding requires more than traditional fuzzing: each candidate property must be proven correct over a model and shown to hold on the real implementation, making formal proof and systematic property-based testing (PBT) complementary. However, validating properties this way at scale requires solving two subproblems: verifying candidate properties and operationalizing PBT without AI hallucination. We hypothesize that recurring property patterns, cast as property templates--abstract, parameterized forms with holes--address both at once. This paper investigates recurring property patterns in Apache Spark. In data-intensive scalable computing systems, correctness properties arise from the principles of data partition, computation decomposition, and dataflow computation. For instance, aggregation decomposition relates a global function executed on the entire dataset to a local function followed by a recombiner. We design an agentic, dual-track validation framework that uses property templates to formally verify correctness in the Lean 4 theorem prover and instantiate PBT templates as executable PySpark tests. Our evaluation shows that property templates increase agentic proof engineering success by up to 2.6x (1.6x on average) and reduce proof hallucinations by 59%. Template-guided PBT synthesis reduces intent misalignments from 22 to 1 and cuts synthesis cost by up to 5.7x (3.8x on average). Template-guided synthesis further exceeds a state-of-the-art Spark fuzzer and approaches unguided LLM-based PBT on code coverage. Finally, comparing the two tracks is informative: when a proof succeeds yet a PBT finds a counterexample, the mismatch identifies a gap between the formal model and implementation.

  • 3 authors
·
Jul 9

Concept Conductor: Orchestrating Multiple Personalized Concepts in Text-to-Image Synthesis

The customization of text-to-image models has seen significant advancements, yet generating multiple personalized concepts remains a challenging task. Current methods struggle with attribute leakage and layout confusion when handling multiple concepts, leading to reduced concept fidelity and semantic consistency. In this work, we introduce a novel training-free framework, Concept Conductor, designed to ensure visual fidelity and correct layout in multi-concept customization. Concept Conductor isolates the sampling processes of multiple custom models to prevent attribute leakage between different concepts and corrects erroneous layouts through self-attention-based spatial guidance. Additionally, we present a concept injection technique that employs shape-aware masks to specify the generation area for each concept. This technique injects the structure and appearance of personalized concepts through feature fusion in the attention layers, ensuring harmony in the final image. Extensive qualitative and quantitative experiments demonstrate that Concept Conductor can consistently generate composite images with accurate layouts while preserving the visual details of each concept. Compared to existing baselines, Concept Conductor shows significant performance improvements. Our method supports the combination of any number of concepts and maintains high fidelity even when dealing with visually similar concepts. The code and models are available at https://github.com/Nihukat/Concept-Conductor.

  • 4 authors
·
Aug 7, 2024

Can MLLMs Decode the Creative Leap? Introducing C4 for Cross-Concept Understanding

Creative capabilities of MLLMs matter in design, communication, education, and human--AI collaboration, yet remain difficult to evaluate because explicit targets and reward signals are scarce compared with accuracy-oriented tasks. Cross-concept understanding is a core cognitive capacity underlying receptive creativity. It enables a perceiver to recover intended meaning from non-obvious but meaningful conceptual relations. We operationalize item construction as cross-concept encoding and model inference as cross-concept decoding. We introduce C4, a cognition-inspired evaluation framework for Chengyu (Chinese idiom)-based Cross-Concept Creativity. Its encoding component maps target slots to imageable substitute concepts along bridge paths in a manually annotated and third-party-reviewed cross-concept network, enabling batch generation with explicit structure, difficulty indexed by bridge count and depth, and exact answers. Using this framework, we instantiate the C4 Evaluation Set (C4-Eval), comprising 184 synthetic items and 37 human-created cross-concept chengyu figures collected from online sources. We manually construct and review cross-concept relations, bridge paths, and reasoning processes for the collected figures. Each C4-Eval item is instantiated in five task settings, yielding 884 primary answer-recovery cases. Across ten evaluated MLLMs, the strongest closed models reach 50.7% and 48.0% primary accuracy, while open-source models remain substantially lower. Candidate constraints improve accuracy sharply, but bridge hints and explanation requests provide only modest gains. These results expose a substantial gap in how current MLLMs decode creatively encoded meaning through cross-concept relations. The code is in the supplementary material.

kinamind KinaMind
·
Aug 5 2

How Do Large Language Models Learn Concepts During Continual Pre-Training?

Human beings primarily understand the world through concepts (e.g., dog), abstract mental representations that structure perception, reasoning, and learning. However, how large language models (LLMs) acquire, retain, and forget such concepts during continual pretraining remains poorly understood. In this work, we study how individual concepts are acquired and forgotten, as well as how multiple concepts interact through interference and synergy. We link these behavioral dynamics to LLMs' internal concept circuits, computational subgraphs associated with specific concepts, and incorporate graph metrics to characterize circuit topology. Our analysis reveals: (1) LLMs concept circuits provide a non-trivial, consistent signal of concept learning and forgetting; (2) concept circuits exhibit a stage-wise temporal pattern during continual pretraining, with an early increase followed by gradual decrease and stabilization; (3) concepts with larger learning gains tend to exhibit greater forgetting under subsequent training; (4) semantically similar concepts induce stronger interference than weakly related ones; (5) conceptual knowledge differs in their transferability, with some significantly facilitating the learning of others. Together, our findings provide a circuit-level view of concept learning dynamics and motivate concept-aware training strategies, such as Circuit-aware Experience Replay, which uses circuit topology to prioritize concepts vulnerable to forgetting.

  • 7 authors
·
Aug 16 3

PairUni: Pairwise Training for Unified Multimodal Language Models

Unified vision-language models (UVLMs) must perform both understanding and generation within a single architecture, but these tasks rely on heterogeneous data and supervision, making it difficult to balance them during reinforcement learning (RL). We propose PairUni, a unified framework that reorganizes data into understanding-generation (UG) pairs and aligns optimization accordingly. We first use GPT-o3 to augment single-task data, generating captions for understanding samples and question-answer (QA) pairs for generation samples, forming aligned pairs from the same instance. Additionally, for each generation sample, we retrieve a semantically related understanding example to form a retrieved pair, linking different but related data points. These paired structures expose cross-task semantic correspondences and support consistent policy learning. To leverage this structure, we present Pair-GPRO, a pair-aware variant based on Group Relative Policy Optimization. It assigns a similarity score to each pair to modulate the advantage, strengthening learning from well-aligned examples and reducing task interference. We curate a high-quality dataset of 16K UG pairs named PairUG for RL fine-tuning and evaluate PairUni on the powerful Janus-Pro UVLMs. Our approach achieves balanced improvements on various UVLMs, outperforming strong UVLM RL baselines. Code: https://github.com/Haochen-Wang409/PairUni{github.com/Haochen-Wang409/PairUni}

ByteDance ByteDance
·
Oct 29, 2025 1

One Image is Worth a Thousand Words: A Usability Preservable Text-Image Collaborative Erasing Framework

Concept erasing has recently emerged as an effective paradigm to prevent text-to-image diffusion models from generating visually undesirable or even harmful content. However, current removal methods heavily rely on manually crafted text prompts, making it challenging to achieve a high erasure (efficacy) while minimizing the impact on other benign concepts (usability). In this paper, we attribute the limitations to the inherent gap between the text and image modalities, which makes it hard to transfer the intricately entangled concept knowledge from text prompts to the image generation process. To address this, we propose a novel solution by directly integrating visual supervision into the erasure process, introducing the first text-image Collaborative Concept Erasing (Co-Erasing) framework. Specifically, Co-Erasing describes the concept jointly by text prompts and the corresponding undesirable images induced by the prompts, and then reduces the generating probability of the target concept through negative guidance. This approach effectively bypasses the knowledge gap between text and image, significantly enhancing erasure efficacy. Additionally, we design a text-guided image concept refinement strategy that directs the model to focus on visual features most relevant to the specified text concept, minimizing disruption to other benign concepts. Finally, comprehensive experiments suggest that Co-Erasing outperforms state-of-the-art erasure approaches significantly with a better trade-off between efficacy and usability. Codes are available at https://github.com/Ferry-Li/Co-Erasing.

  • 6 authors
·
May 16, 2025

On the Complexity of Bayesian Generalization

We consider concept generalization at a large scale in the diverse and natural visual spectrum. Established computational modes (i.e., rule-based or similarity-based) are primarily studied isolated and focus on confined and abstract problem spaces. In this work, we study these two modes when the problem space scales up, and the complexity of concepts becomes diverse. Specifically, at the representational level, we seek to answer how the complexity varies when a visual concept is mapped to the representation space. Prior psychology literature has shown that two types of complexities (i.e., subjective complexity and visual complexity) (Griffiths and Tenenbaum, 2003) build an inverted-U relation (Donderi, 2006; Sun and Firestone, 2021). Leveraging Representativeness of Attribute (RoA), we computationally confirm the following observation: Models use attributes with high RoA to describe visual concepts, and the description length falls in an inverted-U relation with the increment in visual complexity. At the computational level, we aim to answer how the complexity of representation affects the shift between the rule- and similarity-based generalization. We hypothesize that category-conditioned visual modeling estimates the co-occurrence frequency between visual and categorical attributes, thus potentially serving as the prior for the natural visual world. Experimental results show that representations with relatively high subjective complexity outperform those with relatively low subjective complexity in the rule-based generalization, while the trend is the opposite in the similarity-based generalization.

  • 9 authors
·
Nov 20, 2022

Discovery and recovery of crystalline materials with property-conditioned transformers

Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be requested during the generation process. However, conditioning of transformer-based approaches, in particular, is constrained by discrete tokenisation schemes and the risk of catastrophic forgetting during fine-tuning. This work introduces CrystaLLM-π (property injection), a conditional autoregressive framework that integrates continuous property representations directly into the transformer's attention mechanism. Two architectures, Property-Key-Value (PKV) Prefix attention and PKV Residual attention, are presented. These methods bypass inefficient sequence-level tokenisation and preserve foundational knowledge from unsupervised pre-training on Crystallographic Information Files (CIFs) as textual input. We establish the efficacy of these mechanisms through systematic robustness studies and evaluate the framework's versatility across two distinct tasks. First, for structure recovery, the model processes high-dimensional, heterogeneous X-ray diffraction patterns, achieving structural accuracy competitive with specialised models and demonstrating applications to experimental structure recovery and polymorph differentiation. Second, for materials discovery, the model is fine-tuned on a specialised photovoltaic dataset to generate novel, stable candidates validated by Density Functional Theory (DFT). It implicitly learns to target optimal band gap regions for high photovoltaic efficiency, demonstrating a capability to map complex structure-property relationships. CrystaLLM-π provides a unified, flexible, and computationally efficient framework for inverse materials design.

  • 8 authors
·
Nov 26, 2025

What Lives? A meta-analysis of diverse opinions on the definition of life

The question of "what is life?" has challenged scientists and philosophers for centuries, producing an array of definitions that reflect both the mystery of its emergence and the diversity of disciplinary perspectives brought to bear on the question. Despite significant progress in our understanding of biological systems, psychology, computation, and information theory, no single definition for life has yet achieved universal acceptance. This challenge becomes increasingly urgent as advances in synthetic biology, artificial intelligence, and astrobiology challenge our traditional conceptions of what it means to be alive. We undertook a methodological approach that leverages large language models (LLMs) to analyze a set of definitions of life provided by a curated set of cross-disciplinary experts. We used a novel pairwise correlation analysis to map the definitions into distinct feature vectors, followed by agglomerative clustering, intra-cluster semantic analysis, and t-SNE projection to reveal underlying conceptual archetypes. This methodology revealed a continuous landscape of the themes relating to the definition of life, suggesting that what has historically been approached as a binary taxonomic problem should be instead conceived as differentiated perspectives within a unified conceptual latent space. We offer a new methodological bridge between reductionist and holistic approaches to fundamental questions in science and philosophy, demonstrating how computational semantic analysis can reveal conceptual patterns across disciplinary boundaries, and opening similar pathways for addressing other contested definitional territories across the sciences.

  • 4 authors
·
Aug 5, 2025

Soft Thinking: Unlocking the Reasoning Potential of LLMs in Continuous Concept Space

Human cognition typically involves thinking through abstract, fluid concepts rather than strictly using discrete linguistic tokens. Current reasoning models, however, are constrained to reasoning within the boundaries of human language, processing discrete token embeddings that represent fixed points in the semantic space. This discrete constraint restricts the expressive power and upper potential of such reasoning models, often causing incomplete exploration of reasoning paths, as standard Chain-of-Thought (CoT) methods rely on sampling one token per step. In this work, we introduce Soft Thinking, a training-free method that emulates human-like "soft" reasoning by generating soft, abstract concept tokens in a continuous concept space. These concept tokens are created by the probability-weighted mixture of token embeddings, which form the continuous concept space, enabling smooth transitions and richer representations that transcend traditional discrete boundaries. In essence, each generated concept token encapsulates multiple meanings from related discrete tokens, implicitly exploring various reasoning paths to converge effectively toward the correct answer. Empirical evaluations on diverse mathematical and coding benchmarks consistently demonstrate the effectiveness and efficiency of Soft Thinking, improving pass@1 accuracy by up to 2.48 points while simultaneously reducing token usage by up to 22.4% compared to standard CoT. Qualitative analysis further reveals that Soft Thinking outputs remain highly interpretable and readable, highlighting the potential of Soft Thinking to break the inherent bottleneck of discrete language-based reasoning. Code is available at https://github.com/eric-ai-lab/Soft-Thinking.

ucsbai UCSB AI Group
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May 21, 2025 3