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Mar 11

Adaptively Weighted Data Augmentation Consistency Regularization for Robust Optimization under Concept Shift

Concept shift is a prevailing problem in natural tasks like medical image segmentation where samples usually come from different subpopulations with variant correlations between features and labels. One common type of concept shift in medical image segmentation is the "information imbalance" between label-sparse samples with few (if any) segmentation labels and label-dense samples with plentiful labeled pixels. Existing distributionally robust algorithms have focused on adaptively truncating/down-weighting the "less informative" (i.e., label-sparse in our context) samples. To exploit data features of label-sparse samples more efficiently, we propose an adaptively weighted online optimization algorithm -- AdaWAC -- to incorporate data augmentation consistency regularization in sample reweighting. Our method introduces a set of trainable weights to balance the supervised loss and unsupervised consistency regularization of each sample separately. At the saddle point of the underlying objective, the weights assign label-dense samples to the supervised loss and label-sparse samples to the unsupervised consistency regularization. We provide a convergence guarantee by recasting the optimization as online mirror descent on a saddle point problem. Our empirical results demonstrate that AdaWAC not only enhances the segmentation performance and sample efficiency but also improves the robustness to concept shift on various medical image segmentation tasks with different UNet-style backbones.

Need is All You Need: Homeostatic Neural Networks Adapt to Concept Shift

In living organisms, homeostasis is the natural regulation of internal states aimed at maintaining conditions compatible with life. Typical artificial systems are not equipped with comparable regulatory features. Here, we introduce an artificial neural network that incorporates homeostatic features. Its own computing substrate is placed in a needful and vulnerable relation to the very objects over which it computes. For example, artificial neurons performing classification of MNIST digits or Fashion-MNIST articles of clothing may receive excitatory or inhibitory effects, which alter their own learning rate as a direct result of perceiving and classifying the digits. In this scenario, accurate recognition is desirable to the agent itself because it guides decisions to regulate its vulnerable internal states and functionality. Counterintuitively, the addition of vulnerability to a learner does not necessarily impair its performance. On the contrary, self-regulation in response to vulnerability confers benefits under certain conditions. We show that homeostatic design confers increased adaptability under concept shift, in which the relationships between labels and data change over time, and that the greatest advantages are obtained under the highest rates of shift. This necessitates the rapid un-learning of past associations and the re-learning of new ones. We also demonstrate the superior abilities of homeostatic learners in environments with dynamically changing rates of concept shift. Our homeostatic design exposes the artificial neural network's thinking machinery to the consequences of its own "thoughts", illustrating the advantage of putting one's own "skin in the game" to improve fluid intelligence.

Memory-Assisted Sub-Prototype Mining for Universal Domain Adaptation

Universal domain adaptation aims to align the classes and reduce the feature gap between the same category of the source and target domains. The target private category is set as the unknown class during the adaptation process, as it is not included in the source domain. However, most existing methods overlook the intra-class structure within a category, especially in cases where there exists significant concept shift between the samples belonging to the same category. When samples with large concept shift are forced to be pushed together, it may negatively affect the adaptation performance. Moreover, from the interpretability aspect, it is unreasonable to align visual features with significant differences, such as fighter jets and civil aircraft, into the same category. Unfortunately, due to such semantic ambiguity and annotation cost, categories are not always classified in detail, making it difficult for the model to perform precise adaptation. To address these issues, we propose a novel Memory-Assisted Sub-Prototype Mining (MemSPM) method that can learn the differences between samples belonging to the same category and mine sub-classes when there exists significant concept shift between them. By doing so, our model learns a more reasonable feature space that enhances the transferability and reflects the inherent differences among samples annotated as the same category. We evaluate the effectiveness of our MemSPM method over multiple scenarios, including UniDA, OSDA, and PDA. Our method achieves state-of-the-art performance on four benchmarks in most cases.

Understanding Disparities in Post Hoc Machine Learning Explanation

Previous work has highlighted that existing post-hoc explanation methods exhibit disparities in explanation fidelity (across 'race' and 'gender' as sensitive attributes), and while a large body of work focuses on mitigating these issues at the explanation metric level, the role of the data generating process and black box model in relation to explanation disparities remains largely unexplored. Accordingly, through both simulations as well as experiments on a real-world dataset, we specifically assess challenges to explanation disparities that originate from properties of the data: limited sample size, covariate shift, concept shift, omitted variable bias, and challenges based on model properties: inclusion of the sensitive attribute and appropriate functional form. Through controlled simulation analyses, our study demonstrates that increased covariate shift, concept shift, and omission of covariates increase explanation disparities, with the effect pronounced higher for neural network models that are better able to capture the underlying functional form in comparison to linear models. We also observe consistent findings regarding the effect of concept shift and omitted variable bias on explanation disparities in the Adult income dataset. Overall, results indicate that disparities in model explanations can also depend on data and model properties. Based on this systematic investigation, we provide recommendations for the design of explanation methods that mitigate undesirable disparities.

The Harvard USPTO Patent Dataset: A Large-Scale, Well-Structured, and Multi-Purpose Corpus of Patent Applications

Innovation is a major driver of economic and social development, and information about many kinds of innovation is embedded in semi-structured data from patents and patent applications. Although the impact and novelty of innovations expressed in patent data are difficult to measure through traditional means, ML offers a promising set of techniques for evaluating novelty, summarizing contributions, and embedding semantics. In this paper, we introduce the Harvard USPTO Patent Dataset (HUPD), a large-scale, well-structured, and multi-purpose corpus of English-language patent applications filed to the United States Patent and Trademark Office (USPTO) between 2004 and 2018. With more than 4.5 million patent documents, HUPD is two to three times larger than comparable corpora. Unlike previously proposed patent datasets in NLP, HUPD contains the inventor-submitted versions of patent applications--not the final versions of granted patents--thereby allowing us to study patentability at the time of filing using NLP methods for the first time. It is also novel in its inclusion of rich structured metadata alongside the text of patent filings: By providing each application's metadata along with all of its text fields, the dataset enables researchers to perform new sets of NLP tasks that leverage variation in structured covariates. As a case study on the types of research HUPD makes possible, we introduce a new task to the NLP community--namely, binary classification of patent decisions. We additionally show the structured metadata provided in the dataset enables us to conduct explicit studies of concept shifts for this task. Finally, we demonstrate how HUPD can be used for three additional tasks: multi-class classification of patent subject areas, language modeling, and summarization.

VTG-LLM: Integrating Timestamp Knowledge into Video LLMs for Enhanced Video Temporal Grounding

Video Temporal Grounding (VTG) focuses on accurately identifying event timestamps within a particular video based on a linguistic query, playing a vital role in downstream tasks such as video browsing and editing. While Video Large Language Models (video LLMs) have made significant progress in understanding video content, they often face challenges in accurately pinpointing timestamps within videos, which limits their performance on VTG tasks. Therefore, to improve video LLMs' ability to effectively locate timestamps, we argue that two critical aspects need to be enhanced. First, it is essential to have high-quality instructional tuning datasets that encompass mainstream VTG tasks. Second, directly incorporating timestamp knowledge into video LLMs is crucial, as it enables models to efficiently comprehend timestamp information. To address these needs, we first introduce VTG-IT-120K, a high-quality and comprehensive instruction tuning dataset that covers VTG tasks such as moment retrieval, dense video captioning, video summarization, and video highlight detection. Furthermore, we propose a specially designed video LLM model for VTG tasks, VTG-LLM, which (1) effectively integrates timestamp knowledge into visual tokens; (2) incorporates absolute-time tokens that specifically handle timestamp knowledge, thereby avoiding concept shifts; and (3) introduces a lightweight, high-performance slot-based token compression method to facilitate the sampling of more video frames. Comprehensive experiments showcase the superior performance of VTG-LLM in comparison to other video LLM methods across various VTG tasks. Our code and datasets are available at https://github.com/gyxxyg/VTG-LLM.

Analyzing Fine-tuning Representation Shift for Multimodal LLMs Steering alignment

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

From Concept to Manufacturing: Evaluating Vision-Language Models for Engineering Design

Engineering Design is undergoing a transformative shift with the advent of AI, marking a new era in how we approach product, system, and service planning. Large language models have demonstrated impressive capabilities in enabling this shift. Yet, with text as their only input modality, they cannot leverage the large body of visual artifacts that engineers have used for centuries and are accustomed to. This gap is addressed with the release of multimodal vision language models, such as GPT-4V, enabling AI to impact many more types of tasks. In light of these advancements, this paper presents a comprehensive evaluation of GPT-4V, a vision language model, across a wide spectrum of engineering design tasks, categorized into four main areas: Conceptual Design, System-Level and Detailed Design, Manufacturing and Inspection, and Engineering Education Tasks. Our study assesses GPT-4V's capabilities in design tasks such as sketch similarity analysis, concept selection using Pugh Charts, material selection, engineering drawing analysis, CAD generation, topology optimization, design for additive and subtractive manufacturing, spatial reasoning challenges, and textbook problems. Through this structured evaluation, we not only explore GPT-4V's proficiency in handling complex design and manufacturing challenges but also identify its limitations in complex engineering design applications. Our research establishes a foundation for future assessments of vision language models, emphasizing their immense potential for innovating and enhancing the engineering design and manufacturing landscape. It also contributes a set of benchmark testing datasets, with more than 1000 queries, for ongoing advancements and applications in this field.

Effective pruning of web-scale datasets based on complexity of concept clusters

Utilizing massive web-scale datasets has led to unprecedented performance gains in machine learning models, but also imposes outlandish compute requirements for their training. In order to improve training and data efficiency, we here push the limits of pruning large-scale multimodal datasets for training CLIP-style models. Today's most effective pruning method on ImageNet clusters data samples into separate concepts according to their embedding and prunes away the most prototypical samples. We scale this approach to LAION and improve it by noting that the pruning rate should be concept-specific and adapted to the complexity of the concept. Using a simple and intuitive complexity measure, we are able to reduce the training cost to a quarter of regular training. By filtering from the LAION dataset, we find that training on a smaller set of high-quality data can lead to higher performance with significantly lower training costs. More specifically, we are able to outperform the LAION-trained OpenCLIP-ViT-B32 model on ImageNet zero-shot accuracy by 1.1p.p. while only using 27.7% of the data and training compute. Despite a strong reduction in training cost, we also see improvements on ImageNet dist. shifts, retrieval tasks and VTAB. On the DataComp Medium benchmark, we achieve a new state-of-the-art ImageNet zero-shot accuracy and a competitive average zero-shot accuracy on 38 evaluation tasks.

A Textbook Remedy for Domain Shifts: Knowledge Priors for Medical Image Analysis

While deep networks have achieved broad success in analyzing natural images, when applied to medical scans, they often fail in unexcepted situations. We investigate this challenge and focus on model sensitivity to domain shifts, such as data sampled from different hospitals or data confounded by demographic variables such as sex, race, etc, in the context of chest X-rays and skin lesion images. A key finding we show empirically is that existing visual backbones lack an appropriate prior from the architecture for reliable generalization in these settings. Taking inspiration from medical training, we propose giving deep networks a prior grounded in explicit medical knowledge communicated in natural language. To this end, we introduce Knowledge-enhanced Bottlenecks (KnoBo), a class of concept bottleneck models that incorporates knowledge priors that constrain it to reason with clinically relevant factors found in medical textbooks or PubMed. KnoBo uses retrieval-augmented language models to design an appropriate concept space paired with an automatic training procedure for recognizing the concept. We evaluate different resources of knowledge and recognition architectures on a broad range of domain shifts across 20 datasets. In our comprehensive evaluation with two imaging modalities, KnoBo outperforms fine-tuned models on confounded datasets by 32.4% on average. Finally, evaluations reveal that PubMed is a promising resource for making medical models less sensitive to domain shift, outperforming other resources on both diversity of information and final prediction performance.

MagiCapture: High-Resolution Multi-Concept Portrait Customization

Large-scale text-to-image models including Stable Diffusion are capable of generating high-fidelity photorealistic portrait images. There is an active research area dedicated to personalizing these models, aiming to synthesize specific subjects or styles using provided sets of reference images. However, despite the plausible results from these personalization methods, they tend to produce images that often fall short of realism and are not yet on a commercially viable level. This is particularly noticeable in portrait image generation, where any unnatural artifact in human faces is easily discernible due to our inherent human bias. To address this, we introduce MagiCapture, a personalization method for integrating subject and style concepts to generate high-resolution portrait images using just a few subject and style references. For instance, given a handful of random selfies, our fine-tuned model can generate high-quality portrait images in specific styles, such as passport or profile photos. The main challenge with this task is the absence of ground truth for the composed concepts, leading to a reduction in the quality of the final output and an identity shift of the source subject. To address these issues, we present a novel Attention Refocusing loss coupled with auxiliary priors, both of which facilitate robust learning within this weakly supervised learning setting. Our pipeline also includes additional post-processing steps to ensure the creation of highly realistic outputs. MagiCapture outperforms other baselines in both quantitative and qualitative evaluations and can also be generalized to other non-human objects.

The Closeness of In-Context Learning and Weight Shifting for Softmax Regression

Large language models (LLMs) are known for their exceptional performance in natural language processing, making them highly effective in many human life-related or even job-related tasks. The attention mechanism in the Transformer architecture is a critical component of LLMs, as it allows the model to selectively focus on specific input parts. The softmax unit, which is a key part of the attention mechanism, normalizes the attention scores. Hence, the performance of LLMs in various NLP tasks depends significantly on the crucial role played by the attention mechanism with the softmax unit. In-context learning, as one of the celebrated abilities of recent LLMs, is an important concept in querying LLMs such as ChatGPT. Without further parameter updates, Transformers can learn to predict based on few in-context examples. However, the reason why Transformers becomes in-context learners is not well understood. Recently, several works [ASA+22,GTLV22,ONR+22] have studied the in-context learning from a mathematical perspective based on a linear regression formulation min_x| Ax - b |_2, which show Transformers' capability of learning linear functions in context. In this work, we study the in-context learning based on a softmax regression formulation min_{x} | langle exp(Ax), {bf 1}_n rangle^{-1} exp(Ax) - b |_2 of Transformer's attention mechanism. We show the upper bounds of the data transformations induced by a single self-attention layer and by gradient-descent on a ell_2 regression loss for softmax prediction function, which imply that when training self-attention-only Transformers for fundamental regression tasks, the models learned by gradient-descent and Transformers show great similarity.

The Future of AI: Exploring the Potential of Large Concept Models

The field of Artificial Intelligence (AI) continues to drive transformative innovations, with significant progress in conversational interfaces, autonomous vehicles, and intelligent content creation. Since the launch of ChatGPT in late 2022, the rise of Generative AI has marked a pivotal era, with the term Large Language Models (LLMs) becoming a ubiquitous part of daily life. LLMs have demonstrated exceptional capabilities in tasks such as text summarization, code generation, and creative writing. However, these models are inherently limited by their token-level processing, which restricts their ability to perform abstract reasoning, conceptual understanding, and efficient generation of long-form content. To address these limitations, Meta has introduced Large Concept Models (LCMs), representing a significant shift from traditional token-based frameworks. LCMs use concepts as foundational units of understanding, enabling more sophisticated semantic reasoning and context-aware decision-making. Given the limited academic research on this emerging technology, our study aims to bridge the knowledge gap by collecting, analyzing, and synthesizing existing grey literature to provide a comprehensive understanding of LCMs. Specifically, we (i) identify and describe the features that distinguish LCMs from LLMs, (ii) explore potential applications of LCMs across multiple domains, and (iii) propose future research directions and practical strategies to advance LCM development and adoption.

Liquid Neural Network-based Adaptive Learning vs. Incremental Learning for Link Load Prediction amid Concept Drift due to Network Failures

Adapting to concept drift is a challenging task in machine learning, which is usually tackled using incremental learning techniques that periodically re-fit a learning model leveraging newly available data. A primary limitation of these techniques is their reliance on substantial amounts of data for retraining. The necessity of acquiring fresh data introduces temporal delays prior to retraining, potentially rendering the models inaccurate if a sudden concept drift occurs in-between two consecutive retrainings. In communication networks, such issue emerges when performing traffic forecasting following a~failure event: post-failure re-routing may induce a drastic shift in distribution and pattern of traffic data, thus requiring a timely model adaptation. In this work, we address this challenge for the problem of traffic forecasting and propose an approach that exploits adaptive learning algorithms, namely, liquid neural networks, which are capable of self-adaptation to abrupt changes in data patterns without requiring any retraining. Through extensive simulations of failure scenarios, we compare the predictive performance of our proposed approach to that of a reference method based on incremental learning. Experimental results show that our proposed approach outperforms incremental learning-based methods in situations where the shifts in traffic patterns are drastic.

Revisiting Zeroth-Order Optimization for Memory-Efficient LLM Fine-Tuning: A Benchmark

In the evolving landscape of natural language processing (NLP), fine-tuning pre-trained Large Language Models (LLMs) with first-order (FO) optimizers like SGD and Adam has become standard. Yet, as LLMs grow {in size}, the substantial memory overhead from back-propagation (BP) for FO gradient computation presents a significant challenge. Addressing this issue is crucial, especially for applications like on-device training where memory efficiency is paramount. This paper proposes a shift towards BP-free, zeroth-order (ZO) optimization as a solution for reducing memory costs during LLM fine-tuning, building on the initial concept introduced by MeZO. Unlike traditional ZO-SGD methods, our work expands the exploration to a wider array of ZO optimization techniques, through a comprehensive, first-of-its-kind benchmarking study across five LLM families (Roberta, OPT, LLaMA, Vicuna, Mistral), three task complexities, and five fine-tuning schemes. Our study unveils previously overlooked optimization principles, highlighting the importance of task alignment, the role of the forward gradient method, and the balance between algorithm complexity and fine-tuning performance. We further introduce novel enhancements to ZO optimization, including block-wise descent, hybrid training, and gradient sparsity. Our study offers a promising direction for achieving further memory-efficient LLM fine-tuning. Codes to reproduce all our experiments are at https://github.com/ZO-Bench/ZO-LLM .

Pedagogical Alignment of Large Language Models

In this paper, we introduce the novel concept of pedagogically aligned Large Language Models (LLMs) that signifies a transformative shift in the application of LLMs within educational contexts. Rather than providing direct responses to user queries, pedagogically-aligned LLMs function as scaffolding tools, breaking complex problems into manageable subproblems and guiding students towards the final answer through constructive feedback and hints. The objective is to equip learners with problem-solving strategies that deepen their understanding and internalization of the subject matter. Previous research in this field has primarily applied the supervised finetuning approach without framing the objective as an alignment problem, hence not employing reinforcement learning through human feedback (RLHF) methods. This study reinterprets the narrative by viewing the task through the lens of alignment and demonstrates how RLHF methods emerge naturally as a superior alternative for aligning LLM behaviour. Building on this perspective, we propose a novel approach for constructing a reward dataset specifically designed for the pedagogical alignment of LLMs. We apply three state-of-the-art RLHF algorithms and find that they outperform SFT significantly. Our qualitative analyses across model differences and hyperparameter sensitivity further validate the superiority of RLHF over SFT. Also, our study sheds light on the potential of online feedback for enhancing the performance of pedagogically-aligned LLMs, thus providing valuable insights for the advancement of these models in educational settings.

MetaCoCo: A New Few-Shot Classification Benchmark with Spurious Correlation

Out-of-distribution (OOD) problems in few-shot classification (FSC) occur when novel classes sampled from testing distributions differ from base classes drawn from training distributions, which considerably degrades the performance of deep learning models deployed in real-world applications. Recent studies suggest that the OOD problems in FSC mainly including: (a) cross-domain few-shot classification (CD-FSC) and (b) spurious-correlation few-shot classification (SC-FSC). Specifically, CD-FSC occurs when a classifier learns transferring knowledge from base classes drawn from seen training distributions but recognizes novel classes sampled from unseen testing distributions. In contrast, SC-FSC arises when a classifier relies on non-causal features (or contexts) that happen to be correlated with the labels (or concepts) in base classes but such relationships no longer hold during the model deployment. Despite CD-FSC has been extensively studied, SC-FSC remains understudied due to lack of the corresponding evaluation benchmarks. To this end, we present Meta Concept Context (MetaCoCo), a benchmark with spurious-correlation shifts collected from real-world scenarios. Moreover, to quantify the extent of spurious-correlation shifts of the presented MetaCoCo, we further propose a metric by using CLIP as a pre-trained vision-language model. Extensive experiments on the proposed benchmark are performed to evaluate the state-of-the-art methods in FSC, cross-domain shifts, and self-supervised learning. The experimental results show that the performance of the existing methods degrades significantly in the presence of spurious-correlation shifts. We open-source all codes of our benchmark and hope that the proposed MetaCoCo can facilitate future research on spurious-correlation shifts problems in FSC. The code is available at: https://github.com/remiMZ/MetaCoCo-ICLR24.

TiC: Exploring Vision Transformer in Convolution

While models derived from Vision Transformers (ViTs) have been phonemically surging, pre-trained models cannot seamlessly adapt to arbitrary resolution images without altering the architecture and configuration, such as sampling the positional encoding, limiting their flexibility for various vision tasks. For instance, the Segment Anything Model (SAM) based on ViT-Huge requires all input images to be resized to 1024times1024. To overcome this limitation, we propose the Multi-Head Self-Attention Convolution (MSA-Conv) that incorporates Self-Attention within generalized convolutions, including standard, dilated, and depthwise ones. Enabling transformers to handle images of varying sizes without retraining or rescaling, the use of MSA-Conv further reduces computational costs compared to global attention in ViT, which grows costly as image size increases. Later, we present the Vision Transformer in Convolution (TiC) as a proof of concept for image classification with MSA-Conv, where two capacity enhancing strategies, namely Multi-Directional Cyclic Shifted Mechanism and Inter-Pooling Mechanism, have been proposed, through establishing long-distance connections between tokens and enlarging the effective receptive field. Extensive experiments have been carried out to validate the overall effectiveness of TiC. Additionally, ablation studies confirm the performance improvement made by MSA-Conv and the two capacity enhancing strategies separately. Note that our proposal aims at studying an alternative to the global attention used in ViT, while MSA-Conv meets our goal by making TiC comparable to state-of-the-art on ImageNet-1K. Code will be released at https://github.com/zs670980918/MSA-Conv.

Exploring Concept Depth: How Large Language Models Acquire Knowledge at Different Layers?

Large language models (LLMs) have shown remarkable performances across a wide range of tasks. However, the mechanisms by which these models encode tasks of varying complexities remain poorly understood. In this paper, we explore the hypothesis that LLMs process concepts of varying complexities in different layers, introducing the idea of "Concept Depth" to suggest that more complex concepts are typically acquired in deeper layers. Specifically, we categorize concepts based on their level of abstraction, defining them in the order of increasing complexity within factual, emotional, and inferential tasks. We conduct extensive probing experiments using layer-wise representations across various LLM families (Gemma, LLaMA, QWen) on various datasets spanning the three domains of tasks. Our findings reveal that models could efficiently conduct probing for simpler tasks in shallow layers, and more complex tasks typically necessitate deeper layers for accurate understanding. Additionally, we examine how external factors, such as adding noise to the input and quantizing the model weights, might affect layer-wise representations. Our findings suggest that these factors can impede the development of a conceptual understanding of LLMs until deeper layers are explored. We hope that our proposed concept and experimental insights will enhance the understanding of the mechanisms underlying LLMs. Our codes are available at https://github.com/Luckfort/CD.

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.

ClassDiffusion: More Aligned Personalization Tuning with Explicit Class Guidance

Recent text-to-image customization works have been proven successful in generating images of given concepts by fine-tuning the diffusion models on a few examples. However, these methods tend to overfit the concepts, resulting in failure to create the concept under multiple conditions (e.g. headphone is missing when generating a <sks> dog wearing a headphone'). Interestingly, we notice that the base model before fine-tuning exhibits the capability to compose the base concept with other elements (e.g. a dog wearing a headphone) implying that the compositional ability only disappears after personalization tuning. Inspired by this observation, we present ClassDiffusion, a simple technique that leverages a semantic preservation loss to explicitly regulate the concept space when learning the new concept. Despite its simplicity, this helps avoid semantic drift when fine-tuning on the target concepts. Extensive qualitative and quantitative experiments demonstrate that the use of semantic preservation loss effectively improves the compositional abilities of the fine-tune models. In response to the ineffective evaluation of CLIP-T metrics, we introduce BLIP2-T metric, a more equitable and effective evaluation metric for this particular domain. We also provide in-depth empirical study and theoretical analysis to better understand the role of the proposed loss. Lastly, we also extend our ClassDiffusion to personalized video generation, demonstrating its flexibility.

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.

Multi-Concept T2I-Zero: Tweaking Only The Text Embeddings and Nothing Else

Recent advances in text-to-image diffusion models have enabled the photorealistic generation of images from text prompts. Despite the great progress, existing models still struggle to generate compositional multi-concept images naturally, limiting their ability to visualize human imagination. While several recent works have attempted to address this issue, they either introduce additional training or adopt guidance at inference time. In this work, we consider a more ambitious goal: natural multi-concept generation using a pre-trained diffusion model, and with almost no extra cost. To achieve this goal, we identify the limitations in the text embeddings used for the pre-trained text-to-image diffusion models. Specifically, we observe concept dominance and non-localized contribution that severely degrade multi-concept generation performance. We further design a minimal low-cost solution that overcomes the above issues by tweaking (not re-training) the text embeddings for more realistic multi-concept text-to-image generation. Our Correction by Similarities method tweaks the embedding of concepts by collecting semantic features from most similar tokens to localize the contribution. To avoid mixing features of concepts, we also apply Cross-Token Non-Maximum Suppression, which excludes the overlap of contributions from different concepts. Experiments show that our approach outperforms previous methods in text-to-image, image manipulation, and personalization tasks, despite not introducing additional training or inference costs to the diffusion steps.

Post-hoc Concept Bottleneck Models

Concept Bottleneck Models (CBMs) map the inputs onto a set of interpretable concepts (``the bottleneck'') and use the concepts to make predictions. A concept bottleneck enhances interpretability since it can be investigated to understand what concepts the model "sees" in an input and which of these concepts are deemed important. However, CBMs are restrictive in practice as they require dense concept annotations in the training data to learn the bottleneck. Moreover, CBMs often do not match the accuracy of an unrestricted neural network, reducing the incentive to deploy them in practice. In this work, we address these limitations of CBMs by introducing Post-hoc Concept Bottleneck models (PCBMs). We show that we can turn any neural network into a PCBM without sacrificing model performance while still retaining the interpretability benefits. When concept annotations are not available on the training data, we show that PCBM can transfer concepts from other datasets or from natural language descriptions of concepts via multimodal models. A key benefit of PCBM is that it enables users to quickly debug and update the model to reduce spurious correlations and improve generalization to new distributions. PCBM allows for global model edits, which can be more efficient than previous works on local interventions that fix a specific prediction. Through a model-editing user study, we show that editing PCBMs via concept-level feedback can provide significant performance gains without using data from the target domain or model retraining.

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.

Meta-DMoE: Adapting to Domain Shift by Meta-Distillation from Mixture-of-Experts

In this paper, we tackle the problem of domain shift. Most existing methods perform training on multiple source domains using a single model, and the same trained model is used on all unseen target domains. Such solutions are sub-optimal as each target domain exhibits its own specialty, which is not adapted. Furthermore, expecting single-model training to learn extensive knowledge from multiple source domains is counterintuitive. The model is more biased toward learning only domain-invariant features and may result in negative knowledge transfer. In this work, we propose a novel framework for unsupervised test-time adaptation, which is formulated as a knowledge distillation process to address domain shift. Specifically, we incorporate Mixture-of-Experts (MoE) as teachers, where each expert is separately trained on different source domains to maximize their specialty. Given a test-time target domain, a small set of unlabeled data is sampled to query the knowledge from MoE. As the source domains are correlated to the target domains, a transformer-based aggregator then combines the domain knowledge by examining the interconnection among them. The output is treated as a supervision signal to adapt a student prediction network toward the target domain. We further employ meta-learning to enforce the aggregator to distill positive knowledge and the student network to achieve fast adaptation. Extensive experiments demonstrate that the proposed method outperforms the state-of-the-art and validates the effectiveness of each proposed component. Our code is available at https://github.com/n3il666/Meta-DMoE.

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.

MARS: Benchmarking the Metaphysical Reasoning Abilities of Language Models with a Multi-task Evaluation Dataset

To enable Large Language Models (LLMs) to function as conscious agents with generalizable reasoning capabilities, it is crucial that they possess the reasoning ability to comprehend situational changes (transitions) in distribution triggered by environmental factors or actions from other agents. Despite its fundamental significance, this ability remains underexplored due to the complexity of modeling infinite possible changes in an event and their associated distributions, coupled with the lack of benchmark data with situational transitions. Addressing these gaps, we propose a novel formulation of reasoning with distributional changes as a three-step discriminative process, termed as MetAphysical ReaSoning. We then introduce the first-ever benchmark, MARS, comprising three tasks corresponding to each step. These tasks systematically assess LLMs' capabilities in reasoning the plausibility of (i) changes in actions, (ii) states caused by changed actions, and (iii) situational transitions driven by changes in action. Extensive evaluations with 20 (L)LMs of varying sizes and methods indicate that all three tasks in this process pose significant challenges, even for state-of-the-art LLMs and LMs after fine-tuning. Further analyses reveal potential causes for the underperformance of LLMs and demonstrate that pre-training them on large-scale conceptualization taxonomies can potentially enhance their metaphysical reasoning capabilities. Our data and models are publicly accessible at https://github.com/HKUST-KnowComp/MARS.

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.

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/ .

Unsupervised Learning under Latent Label Shift

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.

Pursuing Counterfactual Fairness via Sequential Autoencoder Across Domains

Recognizing the prevalence of domain shift as a common challenge in machine learning, various domain generalization (DG) techniques have been developed to enhance the performance of machine learning systems when dealing with out-of-distribution (OOD) data. Furthermore, in real-world scenarios, data distributions can gradually change across a sequence of sequential domains. While current methodologies primarily focus on improving model effectiveness within these new domains, they often overlook fairness issues throughout the learning process. In response, we introduce an innovative framework called Counterfactual Fairness-Aware Domain Generalization with Sequential Autoencoder (CDSAE). This approach effectively separates environmental information and sensitive attributes from the embedded representation of classification features. This concurrent separation not only greatly improves model generalization across diverse and unfamiliar domains but also effectively addresses challenges related to unfair classification. Our strategy is rooted in the principles of causal inference to tackle these dual issues. To examine the intricate relationship between semantic information, sensitive attributes, and environmental cues, we systematically categorize exogenous uncertainty factors into four latent variables: 1) semantic information influenced by sensitive attributes, 2) semantic information unaffected by sensitive attributes, 3) environmental cues influenced by sensitive attributes, and 4) environmental cues unaffected by sensitive attributes. By incorporating fairness regularization, we exclusively employ semantic information for classification purposes. Empirical validation on synthetic and real-world datasets substantiates the effectiveness of our approach, demonstrating improved accuracy levels while ensuring the preservation of fairness in the evolving landscape of continuous domains.

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.

State2Explanation: Concept-Based Explanations to Benefit Agent Learning and User Understanding

As more non-AI experts use complex AI systems for daily tasks, there has been an increasing effort to develop methods that produce explanations of AI decision making that are understandable by non-AI experts. Towards this effort, leveraging higher-level concepts and producing concept-based explanations have become a popular method. Most concept-based explanations have been developed for classification techniques, and we posit that the few existing methods for sequential decision making are limited in scope. In this work, we first contribute a desiderata for defining concepts in sequential decision making settings. Additionally, inspired by the Protege Effect which states explaining knowledge often reinforces one's self-learning, we explore how concept-based explanations of an RL agent's decision making can in turn improve the agent's learning rate, as well as improve end-user understanding of the agent's decision making. To this end, we contribute a unified framework, State2Explanation (S2E), that involves learning a joint embedding model between state-action pairs and concept-based explanations, and leveraging such learned model to both (1) inform reward shaping during an agent's training, and (2) provide explanations to end-users at deployment for improved task performance. Our experimental validations, in Connect 4 and Lunar Lander, demonstrate the success of S2E in providing a dual-benefit, successfully informing reward shaping and improving agent learning rate, as well as significantly improving end user task performance at deployment time.

Does Continual Learning Equally Forget All Parameters?

Distribution shift (e.g., task or domain shift) in continual learning (CL) usually results in catastrophic forgetting of neural networks. Although it can be alleviated by repeatedly replaying buffered data, the every-step replay is time-consuming. In this paper, we study which modules in neural networks are more prone to forgetting by investigating their training dynamics during CL. Our proposed metrics show that only a few modules are more task-specific and sensitively alter between tasks, while others can be shared across tasks as common knowledge. Hence, we attribute forgetting mainly to the former and find that finetuning them only on a small buffer at the end of any CL method can bring non-trivial improvement. Due to the small number of finetuned parameters, such ``Forgetting Prioritized Finetuning (FPF)'' is efficient in computation. We further propose a more efficient and simpler method that entirely removes the every-step replay and replaces them by only k-times of FPF periodically triggered during CL. Surprisingly, this ``k-FPF'' performs comparably to FPF and outperforms the SOTA CL methods but significantly reduces their computational overhead and cost. In experiments on several benchmarks of class- and domain-incremental CL, FPF consistently improves existing CL methods by a large margin, and k-FPF further excels in efficiency without degrading the accuracy. We also empirically studied the impact of buffer size, epochs per task, and finetuning modules on the cost and accuracy of our methods.

GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

A Survey of Neural Code Intelligence: Paradigms, Advances and Beyond

Neural Code Intelligence -- leveraging deep learning to understand, generate, and optimize code -- holds immense potential for transformative impacts on the whole society. Bridging the gap between Natural Language and Programming Language, this domain has drawn significant attention from researchers in both research communities over the past few years. This survey presents a systematic and chronological review of the advancements in code intelligence, encompassing over 50 representative models and their variants, more than 20 categories of tasks, and an extensive coverage of over 680 related works. We follow the historical progression to trace the paradigm shifts across different research phases (e.g., from modeling code with recurrent neural networks to the era of Large Language Models). Concurrently, we highlight the major technical transitions in models, tasks, and evaluations spanning through different stages. For applications, we also observe a co-evolving shift. It spans from initial endeavors to tackling specific scenarios, through exploring a diverse array of tasks during its rapid expansion, to currently focusing on tackling increasingly complex and varied real-world challenges. Building on our examination of the developmental trajectories, we further investigate the emerging synergies between code intelligence and broader machine intelligence, uncovering new cross-domain opportunities and illustrating the substantial influence of code intelligence across various domains. Finally, we delve into both the opportunities and challenges associated with this field, alongside elucidating our insights on the most promising research directions. An ongoing, dynamically updated project and resources associated with this survey have been released at https://github.com/QiushiSun/NCISurvey.

Disagreement as a way to study misinformation and its effects

Misinformation - false or misleading information - is considered a significant societal concern due to its associated "misinformation effects," such as political polarization, erosion of trust in institutions, problematic behavior, and public health challenges. However, the prevailing concept is misaligned with what is studied. While misinformation focuses on instances of information about factual matters, the broad spectrum of effects often manifests at a societal level and is shaped by a wide range of interdependent factors such as identity, values, opinions, epistemologies, and disagreements. Unsurprisingly, misinformation effects can occur without the prevalence of misinformation, and misinformation does not necessarily increase the effects studied. Here, we propose using disagreement - conflicting attitudes and beliefs between individuals and communities - as a way to study misinformation effects because it addresses the identified conceptual limitations of misinformation. Furthermore, unlike misinformation, disagreement does not require researchers to determine whether a given information is false or misleading. Thus, it can be studied and, more importantly, measured without the need to make a normative judgment about a given information, even when the specific topic is entirely removed, as we show in a longitudinal disagreement measurement. We demonstrate that disagreement, as a holistic concept, provides better explanations for the occurrence of misinformation effects, enhances precision in developing appropriate interventions, and offers a promising approach for evaluating them through quantification. Finally, we show how disagreement addresses current misinformation research questions and conclude with recommendations for research practice.

Class Machine Unlearning for Complex Data via Concepts Inference and Data Poisoning

In current AI era, users may request AI companies to delete their data from the training dataset due to the privacy concerns. As a model owner, retraining a model will consume significant computational resources. Therefore, machine unlearning is a new emerged technology to allow model owner to delete requested training data or a class with little affecting on the model performance. However, for large-scaling complex data, such as image or text data, unlearning a class from a model leads to a inferior performance due to the difficulty to identify the link between classes and model. An inaccurate class deleting may lead to over or under unlearning. In this paper, to accurately defining the unlearning class of complex data, we apply the definition of Concept, rather than an image feature or a token of text data, to represent the semantic information of unlearning class. This new representation can cut the link between the model and the class, leading to a complete erasing of the impact of a class. To analyze the impact of the concept of complex data, we adopt a Post-hoc Concept Bottleneck Model, and Integrated Gradients to precisely identify concepts across different classes. Next, we take advantage of data poisoning with random and targeted labels to propose unlearning methods. We test our methods on both image classification models and large language models (LLMs). The results consistently show that the proposed methods can accurately erase targeted information from models and can largely maintain the performance of the models.

Intrinsic Evaluation of Unlearning Using Parametric Knowledge Traces

The task of "unlearning" certain concepts in large language models (LLMs) has attracted immense attention recently, due to its importance for mitigating undesirable model behaviours, such as the generation of harmful, private, or incorrect information. Current protocols to evaluate unlearning methods largely rely on behavioral tests, without monitoring the presence of unlearned knowledge within the model's parameters. This residual knowledge can be adversarially exploited to recover the erased information post-unlearning. We argue that unlearning should also be evaluated internally, by considering changes in the parametric knowledge traces of the unlearned concepts. To this end, we propose a general methodology for eliciting directions in the parameter space (termed "concept vectors") that encode concrete concepts, and construct ConceptVectors, a benchmark dataset containing hundreds of common concepts and their parametric knowledge traces within two open-source LLMs. Evaluation on ConceptVectors shows that existing unlearning methods minimally impact concept vectors, while directly ablating these vectors demonstrably removes the associated knowledge from the LLMs and significantly reduces their susceptibility to adversarial manipulation. Our results highlight limitations in behavioral-based unlearning evaluations and call for future work to include parametric-based evaluations. To support this, we release our code and benchmark at https://github.com/yihuaihong/ConceptVectors.

AI in Pharma for Personalized Sequential Decision-Making: Methods, Applications and Opportunities

In the pharmaceutical industry, the use of artificial intelligence (AI) has seen consistent growth over the past decade. This rise is attributed to major advancements in statistical machine learning methodologies, computational capabilities and the increased availability of large datasets. AI techniques are applied throughout different stages of drug development, ranging from drug discovery to post-marketing benefit-risk assessment. Kolluri et al. provided a review of several case studies that span these stages, featuring key applications such as protein structure prediction, success probability estimation, subgroup identification, and AI-assisted clinical trial monitoring. From a regulatory standpoint, there was a notable uptick in submissions incorporating AI components in 2021. The most prevalent therapeutic areas leveraging AI were oncology (27%), psychiatry (15%), gastroenterology (12%), and neurology (11%). The paradigm of personalized or precision medicine has gained significant traction in recent research, partly due to advancements in AI techniques hamburg2010path. This shift has had a transformative impact on the pharmaceutical industry. Departing from the traditional "one-size-fits-all" model, personalized medicine incorporates various individual factors, such as environmental conditions, lifestyle choices, and health histories, to formulate customized treatment plans. By utilizing sophisticated machine learning algorithms, clinicians and researchers are better equipped to make informed decisions in areas such as disease prevention, diagnosis, and treatment selection, thereby optimizing health outcomes for each individual.

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).

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.

Supervised Chain of Thought

Large Language Models (LLMs) have revolutionized natural language processing and hold immense potential for advancing Artificial Intelligence. However, the core architecture of most mainstream LLMs -- the Transformer -- has inherent limitations in computational depth, rendering them theoretically incapable of solving many reasoning tasks that demand increasingly deep computations. Chain of Thought (CoT) prompting has emerged as a technique to address these architectural limitations, as evidenced by several theoretical studies. It offers a promising approach to solving complex reasoning tasks that were previously beyond the capabilities of these models. Despite its successes, CoT and its variants (such as Tree of Thought, Graph of Thought, etc.) rely on a "one-prompt-for-all" approach, using a single prompt structure (e.g., "think step by step") for a wide range of tasks -- from counting and sorting to solving mathematical and algorithmic problems. This approach poses significant challenges for models to generate the correct reasoning steps, as the model must navigate through a vast prompt template space to find the appropriate template for each task. In this work, we build upon previous theoretical analyses of CoT to demonstrate how the one-prompt-for-all approach can negatively affect the computability of LLMs. We partition the solution search space into two: the prompt space and the answer space. Our findings show that task-specific supervision is essential for navigating the prompt space accurately and achieving optimal performance. Through experiments with state-of-the-art LLMs, we reveal a gap in reasoning performance when supervision is applied versus when it is not.

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.

How Well Does GPT-4V(ision) Adapt to Distribution Shifts? A Preliminary Investigation

In machine learning, generalization against distribution shifts -- where deployment conditions diverge from the training scenarios -- is crucial, particularly in fields like climate modeling, biomedicine, and autonomous driving. The emergence of foundation models, distinguished by their extensive pretraining and task versatility, has led to an increased interest in their adaptability to distribution shifts. GPT-4V(ision) acts as the most advanced publicly accessible multimodal foundation model, with extensive applications across various domains, including anomaly detection, video understanding, image generation, and medical diagnosis. However, its robustness against data distributions remains largely underexplored. Addressing this gap, this study rigorously evaluates GPT-4V's adaptability and generalization capabilities in dynamic environments, benchmarking against prominent models like CLIP and LLaVA. We delve into GPT-4V's zero-shot generalization across 13 diverse datasets spanning natural, medical, and molecular domains. We further investigate its adaptability to controlled data perturbations and examine the efficacy of in-context learning as a tool to enhance its adaptation. Our findings delineate GPT-4V's capability boundaries in distribution shifts, shedding light on its strengths and limitations across various scenarios. Importantly, this investigation contributes to our understanding of how AI foundation models generalize to distribution shifts, offering pivotal insights into their adaptability and robustness. Code is publicly available at https://github.com/jameszhou-gl/gpt-4v-distribution-shift.

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

ICLR: In-Context Learning of Representations

Recent work has demonstrated that semantics specified by pretraining data influence how representations of different concepts are organized in a large language model (LLM). However, given the open-ended nature of LLMs, e.g., their ability to in-context learn, we can ask whether models alter these pretraining semantics to adopt alternative, context-specified ones. Specifically, if we provide in-context exemplars wherein a concept plays a different role than what the pretraining data suggests, do models reorganize their representations in accordance with these novel semantics? To answer this question, we take inspiration from the theory of conceptual role semantics and define a toy "graph tracing" task wherein the nodes of the graph are referenced via concepts seen during training (e.g., apple, bird, etc.) and the connectivity of the graph is defined via some predefined structure (e.g., a square grid). Given exemplars that indicate traces of random walks on the graph, we analyze intermediate representations of the model and find that as the amount of context is scaled, there is a sudden re-organization from pretrained semantic representations to in-context representations aligned with the graph structure. Further, we find that when reference concepts have correlations in their semantics (e.g., Monday, Tuesday, etc.), the context-specified graph structure is still present in the representations, but is unable to dominate the pretrained structure. To explain these results, we analogize our task to energy minimization for a predefined graph topology, providing evidence towards an implicit optimization process to infer context-specified semantics. Overall, our findings indicate scaling context-size can flexibly re-organize model representations, possibly unlocking novel capabilities.

Towards Large Reasoning Models: A Survey of Reinforced Reasoning with Large Language Models

Language has long been conceived as an essential tool for human reasoning. The breakthrough of Large Language Models (LLMs) has sparked significant research interest in leveraging these models to tackle complex reasoning tasks. Researchers have moved beyond simple autoregressive token generation by introducing the concept of "thought" -- a sequence of tokens representing intermediate steps in the reasoning process. This innovative paradigm enables LLMs' to mimic complex human reasoning processes, such as tree search and reflective thinking. Recently, an emerging trend of learning to reason has applied reinforcement learning (RL) to train LLMs to master reasoning processes. This approach enables the automatic generation of high-quality reasoning trajectories through trial-and-error search algorithms, significantly expanding LLMs' reasoning capacity by providing substantially more training data. Furthermore, recent studies demonstrate that encouraging LLMs to "think" with more tokens during test-time inference can further significantly boost reasoning accuracy. Therefore, the train-time and test-time scaling combined to show a new research frontier -- a path toward Large Reasoning Model. The introduction of OpenAI's o1 series marks a significant milestone in this research direction. In this survey, we present a comprehensive review of recent progress in LLM reasoning. We begin by introducing the foundational background of LLMs and then explore the key technical components driving the development of large reasoning models, with a focus on automated data construction, learning-to-reason techniques, and test-time scaling. We also analyze popular open-source projects at building large reasoning models, and conclude with open challenges and future research directions.

Knowledge Graph in Astronomical Research with Large Language Models: Quantifying Driving Forces in Interdisciplinary Scientific Discovery

Identifying and predicting the factors that contribute to the success of interdisciplinary research is crucial for advancing scientific discovery. However, there is a lack of methods to quantify the integration of new ideas and technological advancements in astronomical research and how these new technologies drive further scientific breakthroughs. Large language models, with their ability to extract key concepts from vast literature beyond keyword searches, provide a new tool to quantify such processes. In this study, we extracted concepts in astronomical research from 297,807 publications between 1993 and 2024 using large language models, resulting in a set of 24,939 concepts. These concepts were then used to form a knowledge graph, where the link strength between any two concepts was determined by their relevance through the citation-reference relationships. By calculating this relevance across different time periods, we quantified the impact of numerical simulations and machine learning on astronomical research. The knowledge graph demonstrates two phases of development: a phase where the technology was integrated and another where the technology was explored in scientific discovery. The knowledge graph reveals that despite machine learning has made much inroad in astronomy, there is currently a lack of new concept development at the intersection of AI and Astronomy, which may be the current bottleneck preventing machine learning from further transforming the field of astronomy.

A-STAR: Test-time Attention Segregation and Retention for Text-to-image Synthesis

While recent developments in text-to-image generative models have led to a suite of high-performing methods capable of producing creative imagery from free-form text, there are several limitations. By analyzing the cross-attention representations of these models, we notice two key issues. First, for text prompts that contain multiple concepts, there is a significant amount of pixel-space overlap (i.e., same spatial regions) among pairs of different concepts. This eventually leads to the model being unable to distinguish between the two concepts and one of them being ignored in the final generation. Next, while these models attempt to capture all such concepts during the beginning of denoising (e.g., first few steps) as evidenced by cross-attention maps, this knowledge is not retained by the end of denoising (e.g., last few steps). Such loss of knowledge eventually leads to inaccurate generation outputs. To address these issues, our key innovations include two test-time attention-based loss functions that substantially improve the performance of pretrained baseline text-to-image diffusion models. First, our attention segregation loss reduces the cross-attention overlap between attention maps of different concepts in the text prompt, thereby reducing the confusion/conflict among various concepts and the eventual capture of all concepts in the generated output. Next, our attention retention loss explicitly forces text-to-image diffusion models to retain cross-attention information for all concepts across all denoising time steps, thereby leading to reduced information loss and the preservation of all concepts in the generated output.

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.

TRCE: Towards Reliable Malicious Concept Erasure in Text-to-Image Diffusion Models

Recent advances in text-to-image diffusion models enable photorealistic image generation, but they also risk producing malicious content, such as NSFW images. To mitigate risk, concept erasure methods are studied to facilitate the model to unlearn specific concepts. However, current studies struggle to fully erase malicious concepts implicitly embedded in prompts (e.g., metaphorical expressions or adversarial prompts) while preserving the model's normal generation capability. To address this challenge, our study proposes TRCE, using a two-stage concept erasure strategy to achieve an effective trade-off between reliable erasure and knowledge preservation. Firstly, TRCE starts by erasing the malicious semantics implicitly embedded in textual prompts. By identifying a critical mapping objective(i.e., the [EoT] embedding), we optimize the cross-attention layers to map malicious prompts to contextually similar prompts but with safe concepts. This step prevents the model from being overly influenced by malicious semantics during the denoising process. Following this, considering the deterministic properties of the sampling trajectory of the diffusion model, TRCE further steers the early denoising prediction toward the safe direction and away from the unsafe one through contrastive learning, thus further avoiding the generation of malicious content. Finally, we conduct comprehensive evaluations of TRCE on multiple malicious concept erasure benchmarks, and the results demonstrate its effectiveness in erasing malicious concepts while better preserving the model's original generation ability. The code is available at: http://github.com/ddgoodgood/TRCE. CAUTION: This paper includes model-generated content that may contain offensive material.

Complexity-Based Prompting for Multi-Step Reasoning

We study the task of prompting large-scale language models to perform multi-step reasoning. Existing work shows that when prompted with a chain of thoughts (CoT), sequences of short sentences describing intermediate reasoning steps towards a final answer, large language models can generate new reasoning chains and predict answers for new inputs. A central question is which reasoning examples make the most effective prompts. In this work, we propose complexity-based prompting, a simple and effective example selection scheme for multi-step reasoning. We show that prompts with higher reasoning complexity, i.e., chains with more reasoning steps, achieve substantially better performance on multi-step reasoning tasks over strong baselines. We further extend our complexity-based criteria from prompting (selecting inputs) to decoding (selecting outputs), where we sample multiple reasoning chains from the model, then choose the majority of generated answers from complex reasoning chains (over simple chains). When used to prompt GPT-3 and Codex, our approach substantially improves multi-step reasoning accuracy and achieves new state-of-the-art (SOTA) performance on three math benchmarks (GSM8K, MultiArith, and MathQA) and two BigBenchHard tasks (Date Understanding and Penguins), with an average +5.3 and up to +18 accuracy improvements. Compared with existing example selection schemes like manual tuning or retrieval-based selection, selection based on reasoning complexity is intuitive, easy to implement, and annotation-efficient. Further results demonstrate the robustness of performance gains from complex prompts under format perturbation and distribution shift.

Can LLMs Learn by Teaching? A Preliminary Study

Teaching to improve student models (e.g., knowledge distillation) is an extensively studied methodology in LLMs. However, for humans, teaching not only improves students but also improves teachers. We ask: Can LLMs also learn by teaching (LbT)? If yes, we can potentially unlock the possibility of continuously advancing the models without solely relying on human-produced data or stronger models. In this paper, we provide a preliminary exploration of this ambitious agenda. We show that LbT ideas can be incorporated into existing LLM training/prompting pipelines and provide noticeable improvements. Specifically, we design three methods, each mimicking one of the three levels of LbT in humans: observing students' feedback, learning from the feedback, and learning iteratively, with the goals of improving answer accuracy without training and improving models' inherent capability with fine-tuning. The findings are encouraging. For example, similar to LbT in human, we see that: (1) LbT can induce weak-to-strong generalization: strong models can improve themselves by teaching other weak models; (2) Diversity in students might help: teaching multiple students could be better than teaching one student or the teacher itself. We hope that this early promise can inspire future research on LbT and more broadly adopting the advanced techniques in education to improve LLMs. The code is available at https://github.com/imagination-research/lbt.

Let's Think Outside the Box: Exploring Leap-of-Thought in Large Language Models with Creative Humor Generation

Chain-of-Thought (CoT) guides large language models (LLMs) to reason step-by-step, and can motivate their logical reasoning ability. While effective for logical tasks, CoT is not conducive to creative problem-solving which often requires out-of-box thoughts and is crucial for innovation advancements. In this paper, we explore the Leap-of-Thought (LoT) abilities within LLMs -- a non-sequential, creative paradigm involving strong associations and knowledge leaps. To this end, we study LLMs on the popular Oogiri game which needs participants to have good creativity and strong associative thinking for responding unexpectedly and humorously to the given image, text, or both, and thus is suitable for LoT study. Then to investigate LLMs' LoT ability in the Oogiri game, we first build a multimodal and multilingual Oogiri-GO dataset which contains over 130,000 samples from the Oogiri game, and observe the insufficient LoT ability or failures of most existing LLMs on the Oogiri game. Accordingly, we introduce a creative Leap-of-Thought (CLoT) paradigm to improve LLM's LoT ability. CLoT first formulates the Oogiri-GO dataset into LoT-oriented instruction tuning data to train pretrained LLM for achieving certain LoT humor generation and discrimination abilities. Then CLoT designs an explorative self-refinement that encourages the LLM to generate more creative LoT data via exploring parallels between seemingly unrelated concepts and selects high-quality data to train itself for self-refinement. CLoT not only excels in humor generation in the Oogiri game but also boosts creative abilities in various tasks like cloud guessing game and divergent association task. These findings advance our understanding and offer a pathway to improve LLMs' creative capacities for innovative applications across domains. The dataset, code, and models will be released online. https://zhongshsh.github.io/CLoT/.

CRAFT: Concept Recursive Activation FacTorization for Explainability

Attribution methods, which employ heatmaps to identify the most influential regions of an image that impact model decisions, have gained widespread popularity as a type of explainability method. However, recent research has exposed the limited practical value of these methods, attributed in part to their narrow focus on the most prominent regions of an image -- revealing "where" the model looks, but failing to elucidate "what" the model sees in those areas. In this work, we try to fill in this gap with CRAFT -- a novel approach to identify both "what" and "where" by generating concept-based explanations. We introduce 3 new ingredients to the automatic concept extraction literature: (i) a recursive strategy to detect and decompose concepts across layers, (ii) a novel method for a more faithful estimation of concept importance using Sobol indices, and (iii) the use of implicit differentiation to unlock Concept Attribution Maps. We conduct both human and computer vision experiments to demonstrate the benefits of the proposed approach. We show that the proposed concept importance estimation technique is more faithful to the model than previous methods. When evaluating the usefulness of the method for human experimenters on a human-centered utility benchmark, we find that our approach significantly improves on two of the three test scenarios. Our code is freely available at github.com/deel-ai/Craft.

On the Opportunities and Risks of Foundation Models

AI is undergoing a paradigm shift with the rise of models (e.g., BERT, DALL-E, GPT-3) that are trained on broad data at scale and are adaptable to a wide range of downstream tasks. We call these models foundation models to underscore their critically central yet incomplete character. This report provides a thorough account of the opportunities and risks of foundation models, ranging from their capabilities (e.g., language, vision, robotics, reasoning, human interaction) and technical principles(e.g., model architectures, training procedures, data, systems, security, evaluation, theory) to their applications (e.g., law, healthcare, education) and societal impact (e.g., inequity, misuse, economic and environmental impact, legal and ethical considerations). Though foundation models are based on standard deep learning and transfer learning, their scale results in new emergent capabilities,and their effectiveness across so many tasks incentivizes homogenization. Homogenization provides powerful leverage but demands caution, as the defects of the foundation model are inherited by all the adapted models downstream. Despite the impending widespread deployment of foundation models, we currently lack a clear understanding of how they work, when they fail, and what they are even capable of due to their emergent properties. To tackle these questions, we believe much of the critical research on foundation models will require deep interdisciplinary collaboration commensurate with their fundamentally sociotechnical nature.

DRT-o1: Optimized Deep Reasoning Translation via Long Chain-of-Thought

Recently, O1-like models have emerged as representative examples, illustrating the effectiveness of long chain-of-thought (CoT) in reasoning tasks such as math and coding tasks. In this paper, we introduce DRT-o1, an attempt to bring the success of long CoT to neural machine translation (MT). Specifically, in view of the literature books that might involve similes and metaphors, translating these texts to a target language is very difficult in practice due to cultural differences. In such cases, literal translation often fails to convey the intended meaning effectively. Even for professional human translators, considerable thought must be given to preserving semantics throughout the translation process. To simulate LLMs' long thought ability in MT, we first mine sentences containing similes or metaphors from existing literature books, and then develop a multi-agent framework to translate these sentences via long thought. In the multi-agent framework, a translator is used to iteratively translate the source sentence under the suggestions provided by an advisor. To ensure the effectiveness of the long thoughts, an evaluator is also employed to judge whether the translation in the current round is better than the previous one or not. In this manner, we collect tens of thousands of long-thought MT data, which is used to train our DRT-o1. The experimental results on literature translation demonstrate the effectiveness of the DRT-o1. Using Qwen2.5-7B and Qwen2.5-14B as the backbones, the improvement brought by DRT-o1 achieves 7.33~8.26 BLEU and 1.66~3.36 CometScore. Besides, DRT-o1-7B can outperform QwQ-32B-Preview by 7.82 BLEU and 1.46 CometScore, showing its effectiveness. The project is available at https://github.com/krystalan/DRT-o1

Towards Trustable Skin Cancer Diagnosis via Rewriting Model's Decision

Deep neural networks have demonstrated promising performance on image recognition tasks. However, they may heavily rely on confounding factors, using irrelevant artifacts or bias within the dataset as the cue to improve performance. When a model performs decision-making based on these spurious correlations, it can become untrustable and lead to catastrophic outcomes when deployed in the real-world scene. In this paper, we explore and try to solve this problem in the context of skin cancer diagnosis. We introduce a human-in-the-loop framework in the model training process such that users can observe and correct the model's decision logic when confounding behaviors happen. Specifically, our method can automatically discover confounding factors by analyzing the co-occurrence behavior of the samples. It is capable of learning confounding concepts using easily obtained concept exemplars. By mapping the black-box model's feature representation onto an explainable concept space, human users can interpret the concept and intervene via first order-logic instruction. We systematically evaluate our method on our newly crafted, well-controlled skin lesion dataset and several public skin lesion datasets. Experiments show that our method can effectively detect and remove confounding factors from datasets without any prior knowledge about the category distribution and does not require fully annotated concept labels. We also show that our method enables the model to focus on clinical-related concepts, improving the model's performance and trustworthiness during model inference.

Early warning signals: The charted and uncharted territories

The realization that complex systems such as ecological communities can collapse or shift regimes suddenly and without rapid external forcing poses a serious challenge to our understanding and management of the natural world. The potential to identify early warning signals that would allow researchers and managers to predict such events before they happen has therefore been an invaluable discovery that offers a way forward in spite of such seemingly unpredictable behavior. Research into early warning signals has demonstrated that it is possible to define and detect such early warning signals in advance of a transition in certain contexts. Here we describe the pattern emerging as research continues to explore just how far we can generalize these results. A core of examples emerges that shares three properties: the phenomenon of rapid regime shifts, a pattern of 'critical slowing down' that can be used to detect the approaching shift, and a mechanism of bifurcation driving the sudden change. As research has expanded beyond these core examples, it is becoming clear that not all systems that show regime shifts exhibit critical slowing down, or vice versa. Even when systems exhibit critical slowing down, statistical detection is a challenge. We review the literature that explores these edge cases and highlight the need for (a) new early warning behaviors that can be used in cases where rapid shifts do not exhibit critical slowing down, (b) the development of methods to identify which behavior might be an appropriate signal when encountering a novel system; bearing in mind that a positive indication for some systems is a negative indication in others, and (c) statistical methods that can distinguish between signatures of early warning behaviors and noise.

Efficient Model Adaptation for Continual Learning at the Edge

Most machine learning (ML) systems assume stationary and matching data distributions during training and deployment. This is often a false assumption. When ML models are deployed on real devices, data distributions often shift over time due to changes in environmental factors, sensor characteristics, and task-of-interest. While it is possible to have a human-in-the-loop to monitor for distribution shifts and engineer new architectures in response to these shifts, such a setup is not cost-effective. Instead, non-stationary automated ML (AutoML) models are needed. This paper presents the Encoder-Adaptor-Reconfigurator (EAR) framework for efficient continual learning under domain shifts. The EAR framework uses a fixed deep neural network (DNN) feature encoder and trains shallow networks on top of the encoder to handle novel data. The EAR framework is capable of 1) detecting when new data is out-of-distribution (OOD) by combining DNNs with hyperdimensional computing (HDC), 2) identifying low-parameter neural adaptors to adapt the model to the OOD data using zero-shot neural architecture search (ZS-NAS), and 3) minimizing catastrophic forgetting on previous tasks by progressively growing the neural architecture as needed and dynamically routing data through the appropriate adaptors and reconfigurators for handling domain-incremental and class-incremental continual learning. We systematically evaluate our approach on several benchmark datasets for domain adaptation and demonstrate strong performance compared to state-of-the-art algorithms for OOD detection and few-/zero-shot NAS.

Automatic Chain of Thought Prompting in Large Language Models

Large language models (LLMs) can perform complex reasoning by generating intermediate reasoning steps. Providing these steps for prompting demonstrations is called chain-of-thought (CoT) prompting. CoT prompting has two major paradigms. One leverages a simple prompt like "Let's think step by step" to facilitate step-by-step thinking before answering a question. The other uses a few manual demonstrations one by one, each composed of a question and a reasoning chain that leads to an answer. The superior performance of the second paradigm hinges on the hand-crafting of task-specific demonstrations one by one. We show that such manual efforts may be eliminated by leveraging LLMs with the "Let's think step by step" prompt to generate reasoning chains for demonstrations one by one, i.e., let's think not just step by step, but also one by one. However, these generated chains often come with mistakes. To mitigate the effect of such mistakes, we find that diversity matters for automatically constructing demonstrations. We propose an automatic CoT prompting method: Auto-CoT. It samples questions with diversity and generates reasoning chains to construct demonstrations. On ten public benchmark reasoning tasks with GPT-3, Auto-CoT consistently matches or exceeds the performance of the CoT paradigm that requires manual designs of demonstrations. Code is available at https://github.com/amazon-research/auto-cot

BootPIG: Bootstrapping Zero-shot Personalized Image Generation Capabilities in Pretrained Diffusion Models

Recent text-to-image generation models have demonstrated incredible success in generating images that faithfully follow input prompts. However, the requirement of using words to describe a desired concept provides limited control over the appearance of the generated concepts. In this work, we address this shortcoming by proposing an approach to enable personalization capabilities in existing text-to-image diffusion models. We propose a novel architecture (BootPIG) that allows a user to provide reference images of an object in order to guide the appearance of a concept in the generated images. The proposed BootPIG architecture makes minimal modifications to a pretrained text-to-image diffusion model and utilizes a separate UNet model to steer the generations toward the desired appearance. We introduce a training procedure that allows us to bootstrap personalization capabilities in the BootPIG architecture using data generated from pretrained text-to-image models, LLM chat agents, and image segmentation models. In contrast to existing methods that require several days of pretraining, the BootPIG architecture can be trained in approximately 1 hour. Experiments on the DreamBooth dataset demonstrate that BootPIG outperforms existing zero-shot methods while being comparable with test-time finetuning approaches. Through a user study, we validate the preference for BootPIG generations over existing methods both in maintaining fidelity to the reference object's appearance and aligning with textual prompts.

Mind Your Step (by Step): Chain-of-Thought can Reduce Performance on Tasks where Thinking Makes Humans Worse

Chain-of-thought (CoT) prompting has become a widely used strategy for working with large language and multimodal models. While CoT has been shown to improve performance across many tasks, determining the settings in which it is effective remains an ongoing effort. In particular, it is still an open question in what settings CoT systematically reduces model performance. In this paper, we seek to identify the characteristics of tasks where CoT reduces performance by drawing inspiration from cognitive psychology, looking at cases where (i) verbal thinking or deliberation hurts performance in humans, and (ii) the constraints governing human performance generalize to language models. Three such cases are implicit statistical learning, visual recognition, and classifying with patterns containing exceptions. In extensive experiments across all three settings, we find that a diverse collection of state-of-the-art models exhibit significant drop-offs in performance (e.g., up to 36.3% absolute accuracy for OpenAI o1-preview compared to GPT-4o) when using inference-time reasoning compared to zero-shot counterparts. We also identify three tasks that satisfy condition (i) but not (ii), and find that while verbal thinking reduces human performance in these tasks, CoT retains or increases model performance. Overall, our results show that while there is not an exact parallel between the cognitive processes of models and those of humans, considering cases where thinking has negative consequences for human performance can help us identify settings where it negatively impacts models. By connecting the literature on human deliberation with evaluations of CoT, we offer a new tool that can be used in understanding the impact of prompt choices and inference-time reasoning.

Reverse Thinking Makes LLMs Stronger Reasoners

Reverse thinking plays a crucial role in human reasoning. Humans can reason not only from a problem to a solution but also in reverse, i.e., start from the solution and reason towards the problem. This often enhances overall reasoning performance as it enables consistency checks between their forward and backward thinking. To enable Large Language Models (LLMs) to perform reverse thinking, we introduce Reverse-Enhanced Thinking (RevThink), a framework composed of data augmentation and learning objectives. In RevThink, we augment the dataset by collecting structured forward-backward reasoning from a teacher model, consisting of: (1) the original question, (2) forward reasoning, (3) backward question, and (4) backward reasoning. We then employ three objectives to train a smaller student model in a multi-task learning fashion: (a) generate forward reasoning from a question, (b) generate a backward question from a question, and (c) generate backward reasoning from the backward question. Experiments across 12 datasets covering commonsense, math, and logical reasoning show an average 13.53% improvement over the student model's zero-shot performance and a 6.84% improvement over the strongest knowledge distillation baselines. Moreover, our method demonstrates sample efficiency -- using only 10% of the correct forward reasoning from the training data, it outperforms a standard fine-tuning method trained on 10x more forward reasoning. RevThink also exhibits strong generalization to out-of-distribution held-out datasets.

UnUnlearning: Unlearning is not sufficient for content regulation in advanced generative AI

Exact unlearning was first introduced as a privacy mechanism that allowed a user to retract their data from machine learning models on request. Shortly after, inexact schemes were proposed to mitigate the impractical costs associated with exact unlearning. More recently unlearning is often discussed as an approach for removal of impermissible knowledge i.e. knowledge that the model should not possess such as unlicensed copyrighted, inaccurate, or malicious information. The promise is that if the model does not have a certain malicious capability, then it cannot be used for the associated malicious purpose. In this paper we revisit the paradigm in which unlearning is used for in Large Language Models (LLMs) and highlight an underlying inconsistency arising from in-context learning. Unlearning can be an effective control mechanism for the training phase, yet it does not prevent the model from performing an impermissible act during inference. We introduce a concept of ununlearning, where unlearned knowledge gets reintroduced in-context, effectively rendering the model capable of behaving as if it knows the forgotten knowledge. As a result, we argue that content filtering for impermissible knowledge will be required and even exact unlearning schemes are not enough for effective content regulation. We discuss feasibility of ununlearning for modern LLMs and examine broader implications.

The Impact of Reasoning Step Length on Large Language Models

Chain of Thought (CoT) is significant in improving the reasoning abilities of large language models (LLMs). However, the correlation between the effectiveness of CoT and the length of reasoning steps in prompts remains largely unknown. To shed light on this, we have conducted several empirical experiments to explore the relations. Specifically, we design experiments that expand and compress the rationale reasoning steps within CoT demonstrations, while keeping all other factors constant. We have the following key findings. First, the results indicate that lengthening the reasoning steps in prompts, even without adding new information into the prompt, considerably enhances LLMs' reasoning abilities across multiple datasets. Alternatively, shortening the reasoning steps, even while preserving the key information, significantly diminishes the reasoning abilities of models. This finding highlights the importance of the number of steps in CoT prompts and provides practical guidance to make better use of LLMs' potential in complex problem-solving scenarios. Second, we also investigated the relationship between the performance of CoT and the rationales used in demonstrations. Surprisingly, the result shows that even incorrect rationales can yield favorable outcomes if they maintain the requisite length of inference. Third, we observed that the advantages of increasing reasoning steps are task-dependent: simpler tasks require fewer steps, whereas complex tasks gain significantly from longer inference sequences.

FreeCustom: Tuning-Free Customized Image Generation for Multi-Concept Composition

Benefiting from large-scale pre-trained text-to-image (T2I) generative models, impressive progress has been achieved in customized image generation, which aims to generate user-specified concepts. Existing approaches have extensively focused on single-concept customization and still encounter challenges when it comes to complex scenarios that involve combining multiple concepts. These approaches often require retraining/fine-tuning using a few images, leading to time-consuming training processes and impeding their swift implementation. Furthermore, the reliance on multiple images to represent a singular concept increases the difficulty of customization. To this end, we propose FreeCustom, a novel tuning-free method to generate customized images of multi-concept composition based on reference concepts, using only one image per concept as input. Specifically, we introduce a new multi-reference self-attention (MRSA) mechanism and a weighted mask strategy that enables the generated image to access and focus more on the reference concepts. In addition, MRSA leverages our key finding that input concepts are better preserved when providing images with context interactions. Experiments show that our method's produced images are consistent with the given concepts and better aligned with the input text. Our method outperforms or performs on par with other training-based methods in terms of multi-concept composition and single-concept customization, but is simpler. Codes can be found at https://github.com/aim-uofa/FreeCustom.

Auto-Evolve: Enhancing Large Language Model's Performance via Self-Reasoning Framework

Recent advancements in prompt engineering strategies, such as Chain-of-Thought (CoT) and Self-Discover, have demonstrated significant potential in improving the reasoning abilities of Large Language Models (LLMs). However, these state-of-the-art (SOTA) prompting strategies rely on single or fixed set of static seed reasoning modules like "think step by step" or "break down this problem" intended to simulate human approach to problem-solving. This constraint limits the flexibility of models in tackling diverse problems effectively. In this paper, we introduce Auto-Evolve, a novel framework that enables LLMs to self-create dynamic reasoning modules and downstream action plan, resulting in significant improvements over current SOTA methods. We evaluate Auto-Evolve on the challenging BigBench-Hard (BBH) dataset with Claude 2.0, Claude 3 Sonnet, Mistral Large, and GPT 4, where it consistently outperforms the SOTA prompt strategies. Auto-Evolve outperforms CoT by up to 10.4% and on an average by 7% across these four models. Our framework introduces two innovations: a) Auto-Evolve dynamically generates reasoning modules for each task while aligning with human reasoning paradigm, thus eliminating the need for predefined templates. b) We introduce an iterative refinement component, that incrementally refines instruction guidance for LLMs and helps boost performance by average 2.8% compared to doing it in a single step.

Beyond English-Centric LLMs: What Language Do Multilingual Language Models Think in?

In this study, we investigate whether non-English-centric LLMs, despite their strong performance, `think' in their respective dominant language: more precisely, `think' refers to how the representations of intermediate layers, when un-embedded into the vocabulary space, exhibit higher probabilities for certain dominant languages during generation. We term such languages as internal latent languages. We examine the latent language of three typical categories of models for Japanese processing: Llama2, an English-centric model; Swallow, an English-centric model with continued pre-training in Japanese; and LLM-jp, a model pre-trained on balanced English and Japanese corpora. Our empirical findings reveal that, unlike Llama2 which relies exclusively on English as the internal latent language, Japanese-specific Swallow and LLM-jp employ both Japanese and English, exhibiting dual internal latent languages. For any given target language, the model preferentially activates the latent language most closely related to it. In addition, we explore how intermediate layers respond to questions involving cultural conflicts between latent internal and target output languages. We further explore how the language identity shifts across layers while keeping consistent semantic meaning reflected in the intermediate layer representations. This study deepens the understanding of non-English-centric large language models, highlighting the intricate dynamics of language representation within their intermediate layers.

Leveraging Training Data in Few-Shot Prompting for Numerical Reasoning

Chain-of-thought (CoT) prompting with large language models has proven effective in numerous natural language processing tasks, but designing prompts that generalize well to diverse problem types can be challenging, especially in the context of math word problem (MWP) solving. Additionally, it is common to have a large amount of training data that have a better diversity coverage but CoT annotations are not available, which limits the use of supervised learning techniques. To address these issues, we investigate two approaches to leverage the training data in a few-shot prompting scenario: dynamic program prompting and program distillation. Our approach is largely inspired by Gao et al., (2022), where they proposed to replace the CoT with the programs as the intermediate reasoning step. Such a prompting strategy allows us to accurately verify the answer correctness through program execution in MWP solving. Our dynamic program prompting involves annotating the training data by sampling correct programs from a large language model, while program distillation involves adapting a smaller model to the program-annotated training data. Our experiments on three standard MWP datasets demonstrate the effectiveness of these approaches, yielding significant improvements over previous baselines for prompting and fine-tuning. Our results suggest that leveraging a large amount of training data can improve the generalization ability of prompts and boost the performance of fine-tuned small models in MWP solving.

OlaGPT: Empowering LLMs With Human-like Problem-Solving Abilities

In most current research, large language models (LLMs) are able to perform reasoning tasks by generating chains of thought through the guidance of specific prompts. However, there still exists a significant discrepancy between their capability in solving complex reasoning problems and that of humans. At present, most approaches focus on chains of thought (COT) and tool use, without considering the adoption and application of human cognitive frameworks. It is well-known that when confronting complex reasoning challenges, humans typically employ various cognitive abilities, and necessitate interaction with all aspects of tools, knowledge, and the external environment information to accomplish intricate tasks. This paper introduces a novel intelligent framework, referred to as OlaGPT. OlaGPT carefully studied a cognitive architecture framework, and propose to simulate certain aspects of human cognition. The framework involves approximating different cognitive modules, including attention, memory, reasoning, learning, and corresponding scheduling and decision-making mechanisms. Inspired by the active learning mechanism of human beings, it proposes a learning unit to record previous mistakes and expert opinions, and dynamically refer to them to strengthen their ability to solve similar problems. The paper also outlines common effective reasoning frameworks for human problem-solving and designs Chain-of-Thought (COT) templates accordingly. A comprehensive decision-making mechanism is also proposed to maximize model accuracy. The efficacy of OlaGPT has been stringently evaluated on multiple reasoning datasets, and the experimental outcomes reveal that OlaGPT surpasses state-of-the-art benchmarks, demonstrating its superior performance. Our implementation of OlaGPT is available on GitHub: https://github.com/oladata-team/OlaGPT.

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

Automatic Data Augmentation via Invariance-Constrained Learning

Underlying data structures, such as symmetries or invariances to transformations, are often exploited to improve the solution of learning tasks. However, embedding these properties in models or learning algorithms can be challenging and computationally intensive. Data augmentation, on the other hand, induces these symmetries during training by applying multiple transformations to the input data. Despite its ubiquity, its effectiveness depends on the choices of which transformations to apply, when to do so, and how often. In fact, there is both empirical and theoretical evidence that the indiscriminate use of data augmentation can introduce biases that outweigh its benefits. This work tackles these issues by automatically adapting the data augmentation while solving the learning task. To do so, it formulates data augmentation as an invariance-constrained learning problem and leverages Monte Carlo Markov Chain (MCMC) sampling to solve it. The result is a practical algorithm that not only does away with a priori searches for augmentation distributions, but also dynamically controls if and when data augmentation is applied. Our experiments illustrate the performance of this method, which achieves state-of-the-art results in automatic data augmentation benchmarks for CIFAR datasets. Furthermore, this approach can be used to gather insights on the actual symmetries underlying a learning task.

Specializing Smaller Language Models towards Multi-Step Reasoning

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

Thought Propagation: An Analogical Approach to Complex Reasoning with Large Language Models

Large Language Models (LLMs) have achieved remarkable success in reasoning tasks with the development of prompting methods. However, existing prompting approaches cannot reuse insights of solving similar problems and suffer from accumulated errors in multi-step reasoning, since they prompt LLMs to reason from scratch. To address these issues, we propose \textit{Thought Propagation (TP)}, which explores the analogous problems and leverages their solutions to enhance the complex reasoning ability of LLMs. These analogous problems are related to the input one, with reusable solutions and problem-solving strategies. Thus, it is promising to propagate insights of solving previous analogous problems to inspire new problem-solving. To achieve this, TP first prompts LLMs to propose and solve a set of analogous problems that are related to the input one. Then, TP reuses the results of analogous problems to directly yield a new solution or derive a knowledge-intensive plan for execution to amend the initial solution obtained from scratch. TP is compatible with existing prompting approaches, allowing plug-and-play generalization and enhancement in a wide range of tasks without much labor in task-specific prompt engineering. Experiments across three challenging tasks demonstrate TP enjoys a substantial improvement over the baselines by an average of 12\% absolute increase in finding the optimal solutions in Shortest-path Reasoning, 13\% improvement of human preference in Creative Writing, and 15\% enhancement in the task completion rate of LLM-Agent Planning.

Learning to Generate Research Idea with Dynamic Control

The rapid advancements in large language models (LLMs) have demonstrated their potential to accelerate scientific discovery, particularly in automating the process of research ideation. LLM-based systems have shown promise in generating hypotheses and research ideas. However, current approaches predominantly rely on prompting-based pre-trained models, limiting their ability to optimize generated content effectively. Moreover, they also lack the capability to deal with the complex interdependence and inherent restrictions among novelty, feasibility, and effectiveness, which remains challenging due to the inherent trade-offs among these dimensions, such as the innovation-feasibility conflict. To address these limitations, we for the first time propose fine-tuning LLMs to be better idea proposers and introduce a novel framework that employs a two-stage approach combining Supervised Fine-Tuning (SFT) and controllable Reinforcement Learning (RL). In the SFT stage, the model learns foundational patterns from pairs of research papers and follow-up ideas. In the RL stage, multi-dimensional reward modeling, guided by fine-grained feedback, evaluates and optimizes the generated ideas across key metrics. Dimensional controllers enable dynamic adjustment of generation, while a sentence-level decoder ensures context-aware emphasis during inference. Our framework provides a balanced approach to research ideation, achieving high-quality outcomes by dynamically navigating the trade-offs among novelty, feasibility, and effectiveness.

Concept-Centric Transformers: Enhancing Model Interpretability through Object-Centric Concept Learning within a Shared Global Workspace

Many interpretable AI approaches have been proposed to provide plausible explanations for a model's decision-making. However, configuring an explainable model that effectively communicates among computational modules has received less attention. A recently proposed shared global workspace theory showed that networks of distributed modules can benefit from sharing information with a bottlenecked memory because the communication constraints encourage specialization, compositionality, and synchronization among the modules. Inspired by this, we propose Concept-Centric Transformers, a simple yet effective configuration of the shared global workspace for interpretability, consisting of: i) an object-centric-based memory module for extracting semantic concepts from input features, ii) a cross-attention mechanism between the learned concept and input embeddings, and iii) standard classification and explanation losses to allow human analysts to directly assess an explanation for the model's classification reasoning. We test our approach against other existing concept-based methods on classification tasks for various datasets, including CIFAR100, CUB-200-2011, and ImageNet, and we show that our model achieves better classification accuracy than all baselines across all problems but also generates more consistent concept-based explanations of classification output.