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Oct 20

Generative Inverse Design of Metamaterials with Functional Responses by Interpretable Learning

Metamaterials with functional responses can exhibit varying properties under different conditions (e.g., wave-based responses or deformation-induced property variation). This work addresses the rapid inverse design of such metamaterials to meet target qualitative functional behaviors, a challenge due to its intractability and non-unique solutions. Unlike data-intensive and non-interpretable deep-learning-based methods, we propose the Random-forest-based Interpretable Generative Inverse Design (RIGID), a single-shot inverse design method for fast generation of metamaterial designs with on-demand functional behaviors. RIGID leverages the interpretability of a random forest-based "designrightarrowresponse" forward model, eliminating the need for a more complex "responserightarrowdesign" inverse model. Based on the likelihood of target satisfaction derived from the trained random forest, one can sample a desired number of design solutions using Markov chain Monte Carlo methods. We validate RIGID on acoustic and optical metamaterial design problems, each with fewer than 250 training samples. Compared to the genetic algorithm-based design generation approach, RIGID generates satisfactory solutions that cover a broader range of the design space, allowing for better consideration of additional figures of merit beyond target satisfaction. This work offers a new perspective on solving on-demand inverse design problems, showcasing the potential for incorporating interpretable machine learning into generative design under small data constraints.

  • 5 authors
·
Dec 7, 2023

GenUP: Generative User Profilers as In-Context Learners for Next POI Recommender Systems

Traditional POI recommendation systems often lack transparency, interpretability, and scrutability due to their reliance on dense vector-based user embeddings. Furthermore, the cold-start problem -- where systems have insufficient data for new users -- limits their ability to generate accurate recommendations. Existing methods often address this by leveraging similar trajectories from other users, but this approach can be computationally expensive and increases the context length for LLM-based methods, making them difficult to scale. To address these limitations, we propose a method that generates natural language (NL) user profiles from large-scale, location-based social network (LBSN) check-ins, utilizing robust personality assessments and behavioral theories. These NL profiles capture user preferences, routines, and behaviors, improving POI prediction accuracy while offering enhanced transparency. By incorporating NL profiles as system prompts to LLMs, our approach reduces reliance on extensive historical data, while remaining flexible, easily updated, and computationally efficient. Our method is not only competitive with other LLM-based and complex agentic frameworks but is also more scalable for real-world scenarios and on-device POI recommendations. Results demonstrate that our approach consistently outperforms baseline methods, offering a more interpretable and resource-efficient solution for POI recommendation systems. Our source code is available at: https://github.com/w11wo/GenUP.

  • 3 authors
·
Oct 27, 2024

StormDiT: A generative AI model bridges the 2-6 hour 'gray zone' in precipitation nowcasting

Accurate short-term warnings for extreme precipitation are critical for global disaster mitigation but are hindered by a persistent predictability barrier at the 2-6 hour horizon -- the "nowcasting gray zone." In this window, traditional observation-based extrapolation fails due to error accumulation, while numerical weather prediction is computationally too slow to resolve storm-scale dynamics. Recent generative AI approaches attempt to bridge this gap by decomposing precipitation into separate deterministic advection and stochastic diffusion components. However, this decomposition can sever fundamental causal links between entangled atmospheric processes, such as the dynamic initiation of convection triggered by boundary advection. Here we present StormDiT, a unified generative model that treats weather evolution as a holistic spatiotemporal problem, learning the coupled physics of the gray zone without human-imposed structural priors. Trained on a massive dataset of 7,720 precipitation events from China, our model achieves a breakthrough in long-horizon stability. On a heavy-rainfall test set, it maintains skillful prediction for strong convection (ge 35 dBZ) with a Critical Success Index (CSI) near 0.2 across the full 6-hour forecast at 6-minute resolution. Crucially, the model exhibits superior probabilistic calibration, accurately quantifying operational risks. On the public SEVIR benchmark, our unified paradigm more than doubles the state-of-the-art 1-hour performance for heavy rain and establishes the first robust baseline for 3-hour forecasting. Furthermore, interpretability analysis reveals that the model attends to non-local physical precursors, such as outflow boundaries, explicitly validating its emergent understanding of convective organization.

  • 9 authors
·
Jan 27

ARM-Thinker: Reinforcing Multimodal Generative Reward Models with Agentic Tool Use and Visual Reasoning

Reward models are critical for aligning vision-language systems with human preferences, yet current approaches suffer from hallucination, weak visual grounding, and an inability to use tools for verification, limiting their reliability on complex multimodal reasoning tasks. We present ARM-Thinker, an A}gentic multimodal Reward Model that autonomously invokes external tools (e.g., image cropping, doc page retrieval) to ground judgments in verifiable evidence, replacing static, non-interactive reward scoring. This enables the model to verify fine-grained visual details, cross-reference multi-page evidence, and validate reasoning claims, which are capabilities absent in existing reward models. We train ARM-Thinker with multi-stage reinforcement learning, jointly optimizing tool-calling decisions and judgment accuracy. To evaluate agentic reward modeling, we introduce ARMBench-VL, comprising three benchmarks that assess fine-grained visual grounding (image-level tools), multi-page document understanding (retrieval tools), and instruction following (text-level verification). ARM-Thinker achieves +16.2% average improvement on reward modeling benchmarks, +9.6% on tool-use tasks, and outperforms baselines on multimodal math and logical reasoning benchmarks. Our results demonstrate that agentic capabilities significantly enhance both accuracy and interpretability of reward models.

internlm Intern Large Models
·
Dec 4, 2025 2

Exploring the encoding of linguistic representations in the Fully-Connected Layer of generative CNNs for Speech

Interpretability work on the convolutional layers of CNNs has primarily focused on computer vision, but some studies also explore correspondences between the latent space and the output in the audio domain. However, it has not been thoroughly examined how acoustic and linguistic information is represented in the fully connected (FC) layer that bridges the latent space and convolutional layers. The current study presents the first exploration of how the FC layer of CNNs for speech synthesis encodes linguistically relevant information. We propose two techniques for exploration of the fully connected layer. In Experiment 1, we use weight matrices as inputs into convolutional layers. In Experiment 2, we manipulate the FC layer to explore how symbolic-like representations are encoded in CNNs. We leverage the fact that the FC layer outputs a feature map and that variable-specific weight matrices are temporally structured to (1) demonstrate how the distribution of learned weights varies between latent variables in systematic ways and (2) demonstrate how manipulating the FC layer while holding constant subsequent model parameters affects the output. We ultimately present an FC manipulation that can output a single segment. Using this technique, we show that lexically specific latent codes in generative CNNs (ciwGAN) have shared lexically invariant sublexical representations in the FC-layer weights, showing that ciwGAN encodes lexical information in a linguistically principled manner.

  • 2 authors
·
Jan 13, 2025

UniGenDet: A Unified Generative-Discriminative Framework for Co-Evolutionary Image Generation and Generated Image Detection

In recent years, significant progress has been made in both image generation and generated image detection. Despite their rapid, yet largely independent, development, these two fields have evolved distinct architectural paradigms: the former predominantly relies on generative networks, while the latter favors discriminative frameworks. A recent trend in both domains is the use of adversarial information to enhance performance, revealing potential for synergy. However, the significant architectural divergence between them presents considerable challenges. Departing from previous approaches, we propose UniGenDet: a Unified generative-discriminative framework for co-evolutionary image Generation and generated image Detection. To bridge the task gap, we design a symbiotic multimodal self-attention mechanism and a unified fine-tuning algorithm. This synergy allows the generation task to improve the interpretability of authenticity identification, while authenticity criteria guide the creation of higher-fidelity images. Furthermore, we introduce a detector-informed generative alignment mechanism to facilitate seamless information exchange. Extensive experiments on multiple datasets demonstrate that our method achieves state-of-the-art performance. Code: https://github.com/Zhangyr2022/UniGenDet{https://github.com/Zhangyr2022/UniGenDet}.

Tsinghua-IVG Tsinghua-IVG
·
Apr 22 4

Generative Judge for Evaluating Alignment

The rapid development of Large Language Models (LLMs) has substantially expanded the range of tasks they can address. In the field of Natural Language Processing (NLP), researchers have shifted their focus from conventional NLP tasks (e.g., sequence tagging and parsing) towards tasks that revolve around aligning with human needs (e.g., brainstorming and email writing). This shift in task distribution imposes new requirements on evaluating these aligned models regarding generality (i.e., assessing performance across diverse scenarios), flexibility (i.e., examining under different protocols), and interpretability (i.e., scrutinizing models with explanations). In this paper, we propose a generative judge with 13B parameters, Auto-J, designed to address these challenges. Our model is trained on user queries and LLM-generated responses under massive real-world scenarios and accommodates diverse evaluation protocols (e.g., pairwise response comparison and single-response evaluation) with well-structured natural language critiques. To demonstrate the efficacy of our approach, we construct a new testbed covering 58 different scenarios. Experimentally, Auto-J outperforms a series of strong competitors, including both open-source and closed-source models, by a large margin. We also provide detailed analysis and case studies to further reveal the potential of our method and make a variety of resources public at https://github.com/GAIR-NLP/auto-j.

  • 6 authors
·
Oct 9, 2023

Physically Native World Models: A Hamiltonian Perspective on Generative World Modeling

World models have recently re-emerged as a central paradigm for embodied intelligence, robotics, autonomous driving, and model-based reinforcement learning. However, current world model research is often dominated by three partially separated routes: 2D video-generative models that emphasize visual future synthesis, 3D scene-centric models that emphasize spatial reconstruction, and JEPA-like latent models that emphasize abstract predictive representations. While each route has made important progress, they still struggle to provide physically reliable, action-controllable, and long-horizon stable predictions for embodied decision making. In this paper, we argue that the bottleneck of world models is no longer only whether they can generate realistic futures, but whether those futures are physically meaningful and useful for action. We propose Hamiltonian World Models as a physically grounded perspective on world modeling. The key idea is to encode observations into a structured latent phase space, evolve the latent state through Hamiltonian-inspired dynamics with control, dissipation, and residual terms, decode the predicted trajectory into future observations, and use the resulting rollouts for planning. We discuss how Hamiltonian structure may improve interpretability, data efficiency, and long-horizon stability, while also noting practical challenges in real-world robotic scenes involving friction, contact, non-conservative forces, and deformable objects.

  • 2 authors
·
Apr 30

APIGen: Generative API Method Recommendation

Automatic API method recommendation is an essential task of code intelligence, which aims to suggest suitable APIs for programming queries. Existing approaches can be categorized into two primary groups: retrieval-based and learning-based approaches. Although these approaches have achieved remarkable success, they still come with notable limitations. The retrieval-based approaches rely on the text representation capabilities of embedding models, while the learning-based approaches require extensive task-specific labeled data for training. To mitigate the limitations, we propose APIGen, a generative API recommendation approach through enhanced in-context learning (ICL). APIGen involves two main components: (1) Diverse Examples Selection. APIGen searches for similar posts to the programming queries from the lexical, syntactical, and semantic perspectives, providing more informative examples for ICL. (2) Guided API Recommendation. APIGen enables large language models (LLMs) to perform reasoning before generating API recommendations, where the reasoning involves fine-grained matching between the task intent behind the queries and the factual knowledge of the APIs. With the reasoning process, APIGen makes recommended APIs better meet the programming requirement of queries and also enhances the interpretability of results. We compare APIGen with four existing approaches on two publicly available benchmarks. Experiments show that APIGen outperforms the best baseline CLEAR by 105.8% in method-level API recommendation and 54.3% in class-level API recommendation in terms of SuccessRate@1. Besides, APIGen achieves an average 49.87% increase compared to the zero-shot performance of popular LLMs such as GPT-4 in method-level API recommendation regarding the SuccessRate@3 metric.

  • 6 authors
·
Jan 28, 2024

A Generative Self-Supervised Framework using Functional Connectivity in fMRI Data

Deep neural networks trained on Functional Connectivity (FC) networks extracted from functional Magnetic Resonance Imaging (fMRI) data have gained popularity due to the increasing availability of data and advances in model architectures, including Graph Neural Network (GNN). Recent research on the application of GNN to FC suggests that exploiting the time-varying properties of the FC could significantly improve the accuracy and interpretability of the model prediction. However, the high cost of acquiring high-quality fMRI data and corresponding phenotypic labels poses a hurdle to their application in real-world settings, such that a model na\"ively trained in a supervised fashion can suffer from insufficient performance or a lack of generalization on a small number of data. In addition, most Self-Supervised Learning (SSL) approaches for GNNs to date adopt a contrastive strategy, which tends to lose appropriate semantic information when the graph structure is perturbed or does not leverage both spatial and temporal information simultaneously. In light of these challenges, we propose a generative SSL approach that is tailored to effectively harness spatio-temporal information within dynamic FC. Our empirical results, experimented with large-scale (>50,000) fMRI datasets, demonstrate that our approach learns valuable representations and enables the construction of accurate and robust models when fine-tuned for downstream tasks.

  • 5 authors
·
Dec 4, 2023

Token Reduction Should Go Beyond Efficiency in Generative Models -- From Vision, Language to Multimodality

In Transformer architectures, tokens\textemdash discrete units derived from raw data\textemdash are formed by segmenting inputs into fixed-length chunks. Each token is then mapped to an embedding, enabling parallel attention computations while preserving the input's essential information. Due to the quadratic computational complexity of transformer self-attention mechanisms, token reduction has primarily been used as an efficiency strategy. This is especially true in single vision and language domains, where it helps balance computational costs, memory usage, and inference latency. Despite these advances, this paper argues that token reduction should transcend its traditional efficiency-oriented role in the era of large generative models. Instead, we position it as a fundamental principle in generative modeling, critically influencing both model architecture and broader applications. Specifically, we contend that across vision, language, and multimodal systems, token reduction can: (i) facilitate deeper multimodal integration and alignment, (ii) mitigate "overthinking" and hallucinations, (iii) maintain coherence over long inputs, and (iv) enhance training stability, etc. We reframe token reduction as more than an efficiency measure. By doing so, we outline promising future directions, including algorithm design, reinforcement learning-guided token reduction, token optimization for in-context learning, and broader ML and scientific domains. We highlight its potential to drive new model architectures and learning strategies that improve robustness, increase interpretability, and better align with the objectives of generative modeling.

  • 10 authors
·
May 23, 2025 3

VideoScore2: Think before You Score in Generative Video Evaluation

Recent advances in text-to-video generation have produced increasingly realistic and diverse content, yet evaluating such videos remains a fundamental challenge due to their multi-faceted nature encompassing visual quality, semantic alignment, and physical consistency. Existing evaluators and reward models are limited to single opaque scores, lack interpretability, or provide only coarse analysis, making them insufficient for capturing the comprehensive nature of video quality assessment. We present VideoScore2, a multi-dimensional, interpretable, and human-aligned framework that explicitly evaluates visual quality, text-to-video alignment, and physical/common-sense consistency while producing detailed chain-of-thought rationales. Our model is trained on a large-scale dataset VideoFeedback2 containing 27,168 human-annotated videos with both scores and reasoning traces across three dimensions, using a two-stage pipeline of supervised fine-tuning followed by reinforcement learning with Group Relative Policy Optimization (GRPO) to enhance analytical robustness. Extensive experiments demonstrate that VideoScore2 achieves superior performance with 44.35 (+5.94) accuracy on our in-domain benchmark VideoScore-Bench-v2 and 50.37 (+4.32) average performance across four out-of-domain benchmarks (VideoGenReward-Bench, VideoPhy2, etc), while providing interpretable assessments that bridge the gap between evaluation and controllable generation through effective reward modeling for Best-of-N sampling. Project Page: https://tiger-ai-lab.github.io/VideoScore2/

TIGER-Lab TIGER-Lab
·
Sep 26, 2025 2

PhysicsAgentABM: Physics-Guided Generative Agent-Based Modeling

Large language model (LLM)-based multi-agent systems enable expressive agent reasoning but are expensive to scale and poorly calibrated for timestep-aligned state-transition simulation, while classical agent-based models (ABMs) offer interpretability but struggle to integrate rich individual-level signals and non-stationary behaviors. We propose PhysicsAgentABM, which shifts inference to behaviorally coherent agent clusters: state-specialized symbolic agents encode mechanistic transition priors, a multimodal neural transition model captures temporal and interaction dynamics, and uncertainty-aware epistemic fusion yields calibrated cluster-level transition distributions. Individual agents then stochastically realize transitions under local constraints, decoupling population inference from entity-level variability. We further introduce ANCHOR, an LLM agent-driven clustering strategy based on cross-contextual behavioral responses and a novel contrastive loss, reducing LLM calls by up to 6-8 times. Experiments across public health, finance, and social sciences show consistent gains in event-time accuracy and calibration over mechanistic, neural, and LLM baselines. By re-architecting generative ABM around population-level inference with uncertainty-aware neuro-symbolic fusion, PhysicsAgentABM establishes a new paradigm for scalable and calibrated simulation with LLMs.

Momentum Attention: The Physics of In-Context Learning and Spectral Forensics for Mechanistic Interpretability

The Mechanistic Interpretability (MI) program has mapped the Transformer as a precise computational graph. We extend this graph with a conservation law and time-varying AC dynamics, viewing it as a physical circuit. We introduce Momentum Attention, a symplectic augmentation embedding physical priors via the kinematic difference operator p_t = q_t - q_{t-1}, implementing the symplectic shear q_t = q_t + γp_t on queries and keys. We identify a fundamental Symplectic-Filter Duality: the physical shear is mathematically equivalent to a High-Pass Filter. This duality is our cornerstone contribution -- by injecting kinematic momentum, we sidestep the topological depth constraint (L geq 2) for induction head formation. While standard architectures require two layers for induction from static positions, our extension grants direct access to velocity, enabling Single-Layer Induction and Spectral Forensics via Bode Plots. We formalize an Orthogonality Theorem proving that DC (semantic) and AC (mechanistic) signals segregate into orthogonal frequency bands when Low-Pass RoPE interacts with High-Pass Momentum. Validated through 5,100+ controlled experiments (documented in Supplementary Appendices A--R and 27 Jupyter notebooks), our 125M Momentum model exceeds expectations on induction-heavy tasks while tracking a 350M baseline within sim2.9% validation loss. Dedicated associative recall experiments reveal a scaling law γ^* = 4.17 times N^{-0.74} establishing momentum-depth fungibility. We offer this framework as a complementary analytical toolkit connecting Generative AI, Hamiltonian Physics, and Signal Processing.

  • 1 authors
·
Feb 3

Legibility is Not Interpretability: Comparing Judged and Actual Importance in Chain-Of-Thought Reasoning

Reasoning traces from chain-of-thought models appear to offer a legible window into how a model arrives at its answer. A growing body of work treats them as such, using LLM judges to diagnose errors, evaluate faithfulness, and provide step-level supervision via process reward models and generative critics. These practices rely on the text of a reasoning step carrying information about its functional role. But does the text actually encode information about which reasoning steps matter? We operationalize the importance of a reasoning step as its advantage: the change in expected reward, e.g., producing the correct final answer, from including that step, estimated via Monte Carlo rollouts. Basing ground truth on these estimates, we evaluate whether LLM judges can identify high-advantage steps and find that sufficiently capable LLMs can outperform a prevalence baseline but fall well short of a noise ceiling. Fine-tuning a model as a step-level critic yields strong improvement for incorrect responses but remains distant from ceiling for correct responses, suggesting that step importance is only partially recoverable from the text of the reasoning trace. Our findings contribute to a growing body of chain-of-thought faithfulness work that cautions against treating the legibility of reasoning traces as interpretability, especially with implications for process reward modeling.

  • 4 authors
·
Sep 2

Reasoning over Semantic IDs Enhances Generative Recommendation

Recent advances in generative recommendation have leveraged pretrained LLMs by formulating sequential recommendation as autoregressive generation over a unified token space comprising language tokens and itemic identifiers, where each item is represented by a compact sequence of discrete tokens, namely Semantic IDs (SIDs). This SID-based formulation enables efficient decoding over large-scale item corpora and provides a natural interface for LLM-based recommenders to leverage rich world knowledge. Meanwhile, breakthroughs in LLM reasoning motivate reasoning-enhanced recommendation, yet effective reasoning over SIDs remains underexplored and challenging. Itemic tokens are not natively meaningful to LLMs; moreover, recommendation-oriented SID reasoning is hard to evaluate, making high-quality supervision scarce. To address these challenges, we propose SIDReasoner, a two-stage framework that elicits reasoning over SIDs by strengthening SID--language alignment to unlock transferable LLM reasoning, rather than relying on large amounts of recommendation-specific reasoning traces. Concretely, SIDReasoner first enhances SID-language alignment via multi-task training on an enriched SID-centered corpus synthesized by a stronger teacher model, grounding itemic tokens in diverse semantic and behavioral contexts. Building on this enhanced alignment, SIDReasoner further improves recommendation reasoning through outcome-driven reinforced optimization, which guides the model toward effective reasoning trajectories without requiring explicit reasoning annotations. Extensive experiments on three real-world datasets demonstrate the effectiveness of our reasoning-augmented SID-based generative recommendation. Beyond accuracy, the results highlight the broader potential of large reasoning models for generative recommendation, including improved interpretability and cross-domain generalization.

  • 9 authors
·
Jun 8

RigMo: Unifying Rig and Motion Learning for Generative Animation

Despite significant progress in 4D generation, rig and motion, the core structural and dynamic components of animation are typically modeled as separate problems. Existing pipelines rely on ground-truth skeletons and skinning weights for motion generation and treat auto-rigging as an independent process, undermining scalability and interpretability. We present RigMo, a unified generative framework that jointly learns rig and motion directly from raw mesh sequences, without any human-provided rig annotations. RigMo encodes per-vertex deformations into two compact latent spaces: a rig latent that decodes into explicit Gaussian bones and skinning weights, and a motion latent that produces time-varying SE(3) transformations. Together, these outputs define an animatable mesh with explicit structure and coherent motion, enabling feed-forward rig and motion inference for deformable objects. Beyond unified rig-motion discovery, we introduce a Motion-DiT model operating in RigMo's latent space and demonstrate that these structure-aware latents can naturally support downstream motion generation tasks. Experiments on DeformingThings4D, Objaverse-XL, and TrueBones demonstrate that RigMo learns smooth, interpretable, and physically plausible rigs, while achieving superior reconstruction and category-level generalization compared to existing auto-rigging and deformation baselines. RigMo establishes a new paradigm for unified, structure-aware, and scalable dynamic 3D modeling.

Crystal Transformer: Self-learning neural language model for Generative and Tinkering Design of Materials

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at www.materialsatlas.org/blmtinker.

  • 7 authors
·
Apr 25, 2022

The Minimum Information about CLinical Artificial Intelligence Checklist for Generative Modeling Research (MI-CLAIM-GEN)

Recent advances in generative models, including large language models (LLMs), vision language models (VLMs), and diffusion models, have accelerated the field of natural language and image processing in medicine and marked a significant paradigm shift in how biomedical models can be developed and deployed. While these models are highly adaptable to new tasks, scaling and evaluating their usage presents new challenges not addressed in previous frameworks. In particular, the ability of these models to produce useful outputs with little to no specialized training data ("zero-" or "few-shot" approaches), as well as the open-ended nature of their outputs, necessitate the development of new guidelines for robust reporting of clinical generative model research. In response to gaps in standards and best practices for the development of clinical AI tools identified by US Executive Order 141103 and several emerging national networks for clinical AI evaluation, we begin to formalize some of these guidelines by building on the original MI-CLAIM checklist. The new checklist, MI-CLAIM-GEN (Table 1), aims to address differences in training, evaluation, interpretability, and reproducibility of new generative models compared to non-generative ("predictive") AI models. This MI-CLAIM-GEN checklist also seeks to clarify cohort selection reporting with unstructured clinical data and adds additional items on alignment with ethical standards for clinical AI research.

  • 18 authors
·
Mar 4, 2024

Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks

Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, offer a high potential for designing de novo molecules. However, to be utilisable in real life drug development pipelines, these models should be able to design drug like and target centric molecules. In this study, we propose an end to end generative system, DrugGEN, for the de novo design of drug candidate molecules that interact with intended target proteins. The proposed method represents molecules as graphs and processes them via a generative adversarial network comprising graph transformer layers. The system is trained using a large dataset of drug like compounds and target specific bioactive molecules to design effective inhibitory molecules against the AKT1 protein, which is critically important in developing treatments for various types of cancer. We conducted molecular docking and dynamics to assess the target centric generation performance of the model, as well as attention score visualisation to examine model interpretability. In parallel, selected compounds were chemically synthesised and evaluated in the context of in vitro enzymatic assays, which identified two bioactive molecules that inhibited AKT1 at low micromolar concentrations. These results indicate that DrugGEN's de novo molecules have a high potential for interacting with the AKT1 protein at the level of its native ligands. Using the open access DrugGEN codebase, it is possible to easily train models for other druggable proteins, given a dataset of experimentally known bioactive molecules.

  • 10 authors
·
Feb 15, 2023

CiwGAN and fiwGAN: Encoding information in acoustic data to model lexical learning with Generative Adversarial Networks

How can deep neural networks encode information that corresponds to words in human speech into raw acoustic data? This paper proposes two neural network architectures for modeling unsupervised lexical learning from raw acoustic inputs, ciwGAN (Categorical InfoWaveGAN) and fiwGAN (Featural InfoWaveGAN), that combine a Deep Convolutional GAN architecture for audio data (WaveGAN; arXiv:1705.07904) with an information theoretic extension of GAN -- InfoGAN (arXiv:1606.03657), and propose a new latent space structure that can model featural learning simultaneously with a higher level classification and allows for a very low-dimension vector representation of lexical items. Lexical learning is modeled as emergent from an architecture that forces a deep neural network to output data such that unique information is retrievable from its acoustic outputs. The networks trained on lexical items from TIMIT learn to encode unique information corresponding to lexical items in the form of categorical variables in their latent space. By manipulating these variables, the network outputs specific lexical items. The network occasionally outputs innovative lexical items that violate training data, but are linguistically interpretable and highly informative for cognitive modeling and neural network interpretability. Innovative outputs suggest that phonetic and phonological representations learned by the network can be productively recombined and directly paralleled to productivity in human speech: a fiwGAN network trained on `suit' and `dark' outputs innovative `start', even though it never saw `start' or even a [st] sequence in the training data. We also argue that setting latent featural codes to values well beyond training range results in almost categorical generation of prototypical lexical items and reveals underlying values of each latent code.

  • 1 authors
·
Jun 4, 2020

Explainable Disentangled Representation Learning for Generalizable Authorship Attribution in the Era of Generative AI

Learning robust representations of authorial style is crucial for authorship attribution and AI-generated text detection. However, existing methods often struggle with content-style entanglement, where models learn spurious correlations between authors' writing styles and topics, leading to poor generalization across domains. To address this challenge, we propose Explainable Authorship Variational Autoencoder (EAVAE), a novel framework that explicitly disentangles style from content through architectural separation-by-design. EAVAE first pretrains style encoders using supervised contrastive learning on diverse authorship data, then finetunes with a Variational Autoencoder (VEA) architecture using separate encoders for style and content representations. Disentanglement is enforced through a novel discriminator that not only distinguishes whether pairs of style/content representations belong to the same or different authors/content sources, but also generates natural language explanation for their decision, simultaneously mitigating confounding information and enhancing interpretability. Extensive experiments demonstrate the effectiveness of EAVAE. On authorship attribution, we achieve state-of-the-art performance on various datasets, including Amazon Reviews, PAN21, and HRS. For AI-generated text detection, EAVAE excels in few-shot learning over the M4 dataset. Code and data repositories are available onlinehttps://github.com/hieum98/avae https://huggingface.co/collections/Hieuman/document-level-authorship-datasets.

  • 5 authors
·
Apr 22 2

White-Box Diffusion Transformer for single-cell RNA-seq generation

As a powerful tool for characterizing cellular subpopulations and cellular heterogeneity, single cell RNA sequencing (scRNA-seq) technology offers advantages of high throughput and multidimensional analysis. However, the process of data acquisition is often constrained by high cost and limited sample availability. To overcome these limitations, we propose a hybrid model based on Diffusion model and White-Box transformer that aims to generate synthetic and biologically plausible scRNA-seq data. Diffusion model progressively introduce noise into the data and then recover the original data through a denoising process, a forward and reverse process that is particularly suitable for generating complex data distributions. White-Box transformer is a deep learning architecture that emphasizes mathematical interpretability. By minimizing the encoding rate of the data and maximizing the sparsity of the representation, it not only reduces the computational burden, but also provides clear insight into underlying structure. Our White-Box Diffusion Transformer combines the generative capabilities of Diffusion model with the mathematical interpretability of White-Box transformer. Through experiments using six different single-cell RNA-Seq datasets, we visualize both generated and real data using t-SNE dimensionality reduction technique, as well as quantify similarity between generated and real data using various metrics to demonstrate comparable performance of White-Box Diffusion Transformer and Diffusion Transformer in generating scRNA-seq data alongside significant improvements in training efficiency and resource utilization. Our code is available at https://github.com/lingximamo/White-Box-Diffusion-Transformer

  • 3 authors
·
Nov 11, 2024

Probing the Latent World: Emergent Discrete Symbols and Physical Structure in Latent Representations

Video world models trained with Joint Embedding Predictive Architectures (JEPA) acquire rich spatiotemporal representations by predicting masked regions in latent space rather than reconstructing pixels. This removes the visual verification pathway of generative models, creating a structural interpretability gap: the encoder has learned physical structure inaccessible in any inspectable form. Existing probing methods either operate in continuous space without a structured intermediate layer, or attach generative components whose parameters confound attribution of behavior to the encoder. We propose the AI Mother Tongue (AIM) framework as a passive quantization probe: a lightweight, vocabulary-free probe that converts V-JEPA 2 continuous latent vectors into discrete symbol sequences without task-specific supervision or modifying the encoder. Because the encoder is kept completely frozen, any symbolic structure in the AIM codebook is attributable entirely to V-JEPA 2 pre-trained representations -- not to the probe. We evaluate through category-contrast experiments on Kinetics-mini along three physical dimensions: grasp angle, object geometry, and motion temporal structure. AIM symbol distributions differ significantly across all three experiments (chi^2 p < 10^{-4}; MI 0.036--0.117 bits, NMI 1.2--3.9% of the 3-bit maximum; JSD up to 0.342; codebook active ratio 62.5%). The experiments reveal that V-JEPA 2 latent space is markedly compact: diverse action categories share a common representational core, with semantic differences encoded as graded distributional variations rather than categorical boundaries. These results establish Stage 1 of a four-stage roadmap toward an action-conditioned symbolic world model, demonstrating that structured symbolic manifolds are discoverable properties of frozen JEPA latent spaces.

  • 1 authors
·
Mar 19

MetaOthello: A Controlled Study of Multiple World Models in Transformers

Foundation models must handle multiple generative processes, yet mechanistic interpretability largely studies capabilities in isolation; it remains unclear how a single transformer organizes multiple, potentially conflicting "world models". Previous experiments on Othello playing neural-networks test world-model learning but focus on a single game with a single set of rules. We introduce MetaOthello, a controlled suite of Othello variants with shared syntax but different rules or tokenizations, and train small GPTs on mixed-variant data to study how multiple world models are organized in a shared representation space. We find that transformers trained on mixed-game data do not partition their capacity into isolated sub-models; instead, they converge on a mostly shared board-state representation that transfers causally across variants. Linear probes trained on one variant can intervene on another's internal state with effectiveness approaching that of matched probes. For isomorphic games with token remapping, representations are equivalent up to a single orthogonal rotation that generalizes across layers. When rules partially overlap, early layers maintain game-agnostic representations while a middle layer identifies game identity, and later layers specialize. MetaOthello offers a path toward understanding not just whether transformers learn world models, but how they organize many at once.

  • 3 authors
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Jun 30

Predictive, scalable and interpretable knowledge tracing on structured domains

Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress (''knowledge tracing''; KT), and the prerequisite structure of the learning domain (''knowledge mapping''). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and learning histories. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step predictive accuracy and scalable inference in continual-learning settings, all while providing interpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.

  • 4 authors
·
Mar 19, 2024

ProjectedEx: Enhancing Generation in Explainable AI for Prostate Cancer

Prostate cancer, a growing global health concern, necessitates precise diagnostic tools, with Magnetic Resonance Imaging (MRI) offering high-resolution soft tissue imaging that significantly enhances diagnostic accuracy. Recent advancements in explainable AI and representation learning have significantly improved prostate cancer diagnosis by enabling automated and precise lesion classification. However, existing explainable AI methods, particularly those based on frameworks like generative adversarial networks (GANs), are predominantly developed for natural image generation, and their application to medical imaging often leads to suboptimal performance due to the unique characteristics and complexity of medical image. To address these challenges, our paper introduces three key contributions. First, we propose ProjectedEx, a generative framework that provides interpretable, multi-attribute explanations, effectively linking medical image features to classifier decisions. Second, we enhance the encoder module by incorporating feature pyramids, which enables multiscale feedback to refine the latent space and improves the quality of generated explanations. Additionally, we conduct comprehensive experiments on both the generator and classifier, demonstrating the clinical relevance and effectiveness of ProjectedEx in enhancing interpretability and supporting the adoption of AI in medical settings. Code will be released at https://github.com/Richardqiyi/ProjectedEx

  • 14 authors
·
Jan 2, 2025

Think, then Score: Decoupled Reasoning and Scoring for Video Reward Modeling

Recent advances in generative video models are increasingly driven by post-training and test-time scaling, both of which critically depend on the quality of video reward models (RMs). An ideal reward model should predict accurate rewards that align with human preferences across diverse scenarios. However, existing paradigms face a fundamental dilemma: Discriminative RMs regress rewards directly on features extracted by multimodal large language models (MLLMs) without explicit reasoning, making them prone to shortcut learning and heavily reliant on massive data scaling for generalization. In contrast, Generative RMs with Chain-of-Thought (CoT) reasoning exhibit superior interpretability and generalization potential, as they leverage fine-grained semantic supervision to internalize the rationales behind human preferences. However, they suffer from inherent optimization bottlenecks due to the coupling of reasoning and scoring within a single autoregressive inference chain. To harness the generalization benefits of CoT reasoning while mitigating the training instability of coupled reasoning and scoring, we introduce DeScore, a training-efficient and generalizable video reward model. DeScore employs a decoupled ``think-then-score'' paradigm: an MLLM first generates an explicit CoT, followed by a dedicated discriminative scoring module consisting of a learnable query token and a regression head that predicts the final reward. DeScore is optimized via a two-stage framework: (1) a discriminative cold start incorporating a random mask mechanism to ensure robust scoring capabilities, and (2) a dual-objective reinforcement learning stage that independently refines CoT reasoning quality and calibrates the final reward, ensuring that higher-quality reasoning directly translates to superior model performance.

  • 11 authors
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May 6 2

Federated PCA on Grassmann Manifold for IoT Anomaly Detection

With the proliferation of the Internet of Things (IoT) and the rising interconnectedness of devices, network security faces significant challenges, especially from anomalous activities. While traditional machine learning-based intrusion detection systems (ML-IDS) effectively employ supervised learning methods, they possess limitations such as the requirement for labeled data and challenges with high dimensionality. Recent unsupervised ML-IDS approaches such as AutoEncoders and Generative Adversarial Networks (GAN) offer alternative solutions but pose challenges in deployment onto resource-constrained IoT devices and in interpretability. To address these concerns, this paper proposes a novel federated unsupervised anomaly detection framework, FedPCA, that leverages Principal Component Analysis (PCA) and the Alternating Directions Method Multipliers (ADMM) to learn common representations of distributed non-i.i.d. datasets. Building on the FedPCA framework, we propose two algorithms, FEDPE in Euclidean space and FEDPG on Grassmann manifolds. Our approach enables real-time threat detection and mitigation at the device level, enhancing network resilience while ensuring privacy. Moreover, the proposed algorithms are accompanied by theoretical convergence rates even under a subsampling scheme, a novel result. Experimental results on the UNSW-NB15 and TON-IoT datasets show that our proposed methods offer performance in anomaly detection comparable to nonlinear baselines, while providing significant improvements in communication and memory efficiency, underscoring their potential for securing IoT networks.

  • 7 authors
·
Jul 10, 2024

textTOvec: Deep Contextualized Neural Autoregressive Topic Models of Language with Distributed Compositional Prior

We address two challenges of probabilistic topic modelling in order to better estimate the probability of a word in a given context, i.e., P(word|context): (1) No Language Structure in Context: Probabilistic topic models ignore word order by summarizing a given context as a "bag-of-word" and consequently the semantics of words in the context is lost. The LSTM-LM learns a vector-space representation of each word by accounting for word order in local collocation patterns and models complex characteristics of language (e.g., syntax and semantics), while the TM simultaneously learns a latent representation from the entire document and discovers the underlying thematic structure. We unite two complementary paradigms of learning the meaning of word occurrences by combining a TM (e.g., DocNADE) and a LM in a unified probabilistic framework, named as ctx-DocNADE. (2) Limited Context and/or Smaller training corpus of documents: In settings with a small number of word occurrences (i.e., lack of context) in short text or data sparsity in a corpus of few documents, the application of TMs is challenging. We address this challenge by incorporating external knowledge into neural autoregressive topic models via a language modelling approach: we use word embeddings as input of a LSTM-LM with the aim to improve the word-topic mapping on a smaller and/or short-text corpus. The proposed DocNADE extension is named as ctx-DocNADEe. We present novel neural autoregressive topic model variants coupled with neural LMs and embeddings priors that consistently outperform state-of-the-art generative TMs in terms of generalization (perplexity), interpretability (topic coherence) and applicability (retrieval and classification) over 6 long-text and 8 short-text datasets from diverse domains.

  • 4 authors
·
Oct 9, 2018

ManipShield: A Unified Framework for Image Manipulation Detection, Localization and Explanation

With the rapid advancement of generative models, powerful image editing methods now enable diverse and highly realistic image manipulations that far surpass traditional deepfake techniques, posing new challenges for manipulation detection. Existing image manipulation detection and localization (IMDL) benchmarks suffer from limited content diversity, narrow generative-model coverage, and insufficient interpretability, which hinders the generalization and explanation capabilities of current manipulation detection methods. To address these limitations, we introduce ManipBench, a large-scale benchmark for image manipulation detection and localization focusing on AI-edited images. ManipBench contains over 450K manipulated images produced by 25 state-of-the-art image editing models across 12 manipulation categories, among which 100K images are further annotated with bounding boxes, judgment cues, and textual explanations to support interpretable detection. Building upon ManipBench, we propose ManipShield, an all-in-one model based on a Multimodal Large Language Model (MLLM) that leverages contrastive LoRA fine-tuning and task-specific decoders to achieve unified image manipulation detection, localization, and explanation. Extensive experiments on ManipBench and several public datasets demonstrate that ManipShield achieves state-of-the-art performance and exhibits strong generality to unseen manipulation models. Both ManipBench and ManipShield will be released upon publication.

  • 9 authors
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Nov 18, 2025 1

IM-RAG: Multi-Round Retrieval-Augmented Generation Through Learning Inner Monologues

Although the Retrieval-Augmented Generation (RAG) paradigms can use external knowledge to enhance and ground the outputs of Large Language Models (LLMs) to mitigate generative hallucinations and static knowledge base problems, they still suffer from limited flexibility in adopting Information Retrieval (IR) systems with varying capabilities, constrained interpretability during the multi-round retrieval process, and a lack of end-to-end optimization. To address these challenges, we propose a novel LLM-centric approach, IM-RAG, that integrates IR systems with LLMs to support multi-round RAG through learning Inner Monologues (IM, i.e., the human inner voice that narrates one's thoughts). During the IM process, the LLM serves as the core reasoning model (i.e., Reasoner) to either propose queries to collect more information via the Retriever or to provide a final answer based on the conversational context. We also introduce a Refiner that improves the outputs from the Retriever, effectively bridging the gap between the Reasoner and IR modules with varying capabilities and fostering multi-round communications. The entire IM process is optimized via Reinforcement Learning (RL) where a Progress Tracker is incorporated to provide mid-step rewards, and the answer prediction is further separately optimized via Supervised Fine-Tuning (SFT). We conduct extensive experiments with the HotPotQA dataset, a popular benchmark for retrieval-based, multi-step question-answering. The results show that our approach achieves state-of-the-art (SOTA) performance while providing high flexibility in integrating IR modules as well as strong interpretability exhibited in the learned inner monologues.

  • 7 authors
·
May 15, 2024

GroundedPRM: Tree-Guided and Fidelity-Aware Process Reward Modeling for Step-Level Reasoning

Process Reward Models (PRMs) aim to improve multi-step reasoning in Large Language Models (LLMs) by supervising intermediate steps and identifying errors. However, building effective PRMs remains challenging due to the lack of scalable, high-quality annotations. Existing approaches rely on costly human labeling, LLM-based self-evaluation that is prone to hallucination, or Monte Carlo (MC) estimation, which infers step quality solely from rollout outcomes and often introduces noisy, misaligned supervision due to credit misattribution. These issues result in three core limitations: noisy rewards, low factual fidelity, and misalignment with step-level reasoning objectives. To address these challenges, we introduce GroundedPRM, a tree-guided and fidelity-aware framework for automatic process supervision. To reduce reward noise and enable fine-grained credit assignment, we construct structured reasoning paths via Monte Carlo Tree Search (MCTS). To eliminate hallucinated supervision, we validate each intermediate step using an external tool, providing execution-grounded correctness signals. To combine both step-level validation and global outcome assessment, we design a hybrid reward aggregation mechanism that fuses tool-based verification with MCTS-derived feedback. Finally, we format the reward signal into a rationale-enhanced, generative structure to promote interpretability and compatibility with instruction-tuned LLMs. GroundedPRM is trained on only 40K automatically labeled samples, amounting to just 10% of the data used by the best-performing PRM trained with auto-labeled supervision. Nevertheless, it achieves up to a 26% relative improvement in average performance on ProcessBench. When used for reward-guided greedy search, GroundedPRM outperforms even PRMs trained with human-labeled supervision, offering a scalable and verifiable path toward high-quality process-level reasoning.

Linearized Optimal Transport for Analysis of High-Dimensional Point-Cloud and Single-Cell Data

Single-cell technologies generate high-dimensional point clouds of cells, enabling detailed characterization of complex patient states and treatment responses. Yet each patient is represented by an irregular point cloud rather than a simple vector, making it difficult to directly quantify and compare biological differences between individuals. Nonlinear methods such as kernels and neural networks achieve predictive accuracy but act as black boxes, offering little biological interpretability. To address these limitations, we adapt the Linear Optimal Transport (LOT) framework to this setting, embedding irregular point clouds into a fixed-dimensional Euclidean space while preserving distributional structure. This embedding provides a principled linear representation that preserves optimal transport geometry while enabling downstream analysis. It also forms a registration between any two patients, enabling direct comparison of their cellular distributions. Within this space, LOT enables: (i) accurate and interpretable classification of COVID-19 patient states, where classifier weights map back to specific markers and spatial regions driving predictions; and (ii) synthetic data generation for patient-derived organoids, exploiting the linearity of the LOT embedding. LOT barycenters yield averaged cellular profiles representing combined conditions or samples, supporting drug interaction testing. Together, these results establish LOT as a unified framework that bridges predictive performance, interpretability, and generative modeling. By transforming heterogeneous point clouds into structured embeddings directly traceable to the original data, LOT opens new opportunities for understanding immune variation and treatment effects in high-dimensional biological systems.

  • 5 authors
·
Oct 24, 2025

How Does Generative Retrieval Scale to Millions of Passages?

Popularized by the Differentiable Search Index, the emerging paradigm of generative retrieval re-frames the classic information retrieval problem into a sequence-to-sequence modeling task, forgoing external indices and encoding an entire document corpus within a single Transformer. Although many different approaches have been proposed to improve the effectiveness of generative retrieval, they have only been evaluated on document corpora on the order of 100k in size. We conduct the first empirical study of generative retrieval techniques across various corpus scales, ultimately scaling up to the entire MS MARCO passage ranking task with a corpus of 8.8M passages and evaluating model sizes up to 11B parameters. We uncover several findings about scaling generative retrieval to millions of passages; notably, the central importance of using synthetic queries as document representations during indexing, the ineffectiveness of existing proposed architecture modifications when accounting for compute cost, and the limits of naively scaling model parameters with respect to retrieval performance. While we find that generative retrieval is competitive with state-of-the-art dual encoders on small corpora, scaling to millions of passages remains an important and unsolved challenge. We believe these findings will be valuable for the community to clarify the current state of generative retrieval, highlight the unique challenges, and inspire new research directions.

  • 8 authors
·
May 19, 2023

I Predict Therefore I Am: Is Next Token Prediction Enough to Learn Human-Interpretable Concepts from Data?

The remarkable achievements of large language models (LLMs) have led many to conclude that they exhibit a form of intelligence. This is as opposed to explanations of their capabilities based on their ability to perform relatively simple manipulations of vast volumes of data. To illuminate the distinction between these explanations, we introduce a novel generative model that generates tokens on the basis of human-interpretable concepts represented as latent discrete variables. Under mild conditions, even when the mapping from the latent space to the observed space is non-invertible, we establish an identifiability result, i.e., the representations learned by LLMs through next-token prediction can be approximately modeled as the logarithm of the posterior probabilities of these latent discrete concepts given input context, up to an invertible linear transformation. This theoretical finding not only provides evidence that LLMs capture underlying generative factors, but also provide a unified prospective for understanding of the linear representation hypothesis. Taking this a step further, our finding motivates a reliable evaluation of sparse autoencoders by treating the performance of supervised concept extractors as an upper bound. Pushing this idea even further, it inspires a structural variant that enforces dependence among latent concepts in addition to promoting sparsity. Empirically, we validate our theoretical results through evaluations on both simulation data and the Pythia, Llama, and DeepSeek model families, and demonstrate the effectiveness of our structured sparse autoencoder.

  • 9 authors
·
Mar 11, 2025

UME-R1: Exploring Reasoning-Driven Generative Multimodal Embeddings

The remarkable success of multimodal large language models (MLLMs) has driven advances in multimodal embeddings, yet existing models remain inherently discriminative, limiting their ability to benefit from reasoning-driven generation paradigm. In this work, we pioneer the exploration of generative embeddings, unifying embedding tasks within a generative paradigm. We propose UME-R1, a universal multimodal embedding framework consisting of a two-stage training strategy: a cold-start supervised fine-tuning equips the model with reasoning capabilities and enables it to generate both discriminative and generative embeddings; a subsequent reinforcement learning enhances reasoning and further optimizes generative embedding quality. This pioneering work reveals four key insights: 1) generative embeddings unlock substantial performance gains over conventional discriminative embeddings by leveraging the powerful generative reasoning capabilities of MLLMs; 2) discriminative and generative embeddings are complementary, whose combined oracle performance far exceeding that of either alone; 3) RL can effectively enhance generative embeddings, establishing a scalable optimization paradigm.; 4) repeated sampling at inference boosts downstream task coverage (pass@k), highlighting the inference-time scalability potential of generative embeddings. Evaluated on the MMEB-V2 benchmark across 78 tasks spanning video, image, and visual documents, UME-R1 significantly outperforms conventional discriminative embedding models and offers a foundation for more interpretable, reasoning-driven generative multimodal embeddings. Our code, models, and datasets will be publicly available at https://github.com/XMUDeepLIT/UME-R1.

  • 5 authors
·
Nov 1, 2025 1

Householder Projector for Unsupervised Latent Semantics Discovery

Generative Adversarial Networks (GANs), especially the recent style-based generators (StyleGANs), have versatile semantics in the structured latent space. Latent semantics discovery methods emerge to move around the latent code such that only one factor varies during the traversal. Recently, an unsupervised method proposed a promising direction to directly use the eigenvectors of the projection matrix that maps latent codes to features as the interpretable directions. However, one overlooked fact is that the projection matrix is non-orthogonal and the number of eigenvectors is too large. The non-orthogonality would entangle semantic attributes in the top few eigenvectors, and the large dimensionality might result in meaningless variations among the directions even if the matrix is orthogonal. To avoid these issues, we propose Householder Projector, a flexible and general low-rank orthogonal matrix representation based on Householder transformations, to parameterize the projection matrix. The orthogonality guarantees that the eigenvectors correspond to disentangled interpretable semantics, while the low-rank property encourages that each identified direction has meaningful variations. We integrate our projector into pre-trained StyleGAN2/StyleGAN3 and evaluate the models on several benchmarks. Within only 1% of the original training steps for fine-tuning, our projector helps StyleGANs to discover more disentangled and precise semantic attributes without sacrificing image fidelity.

  • 4 authors
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Jul 16, 2023

GEO: Generative Engine Optimization

The advent of large language models (LLMs) has ushered in a new paradigm of search engines that use generative models to gather and summarize information to answer user queries. This emerging technology, which we formalize under the unified framework of generative engines (GEs), can generate accurate and personalized responses, rapidly replacing traditional search engines like Google and Bing. Generative Engines typically satisfy queries by synthesizing information from multiple sources and summarizing them using LLMs. While this shift significantly improves user utility and generative search engine traffic, it poses a huge challenge for the third stakeholder - website and content creators. Given the black-box and fast-moving nature of generative engines, content creators have little to no control over when and how their content is displayed. With generative engines here to stay, we must ensure the creator economy is not disadvantaged. To address this, we introduce Generative Engine Optimization (GEO), the first novel paradigm to aid content creators in improving their content visibility in GE responses through a flexible black-box optimization framework for optimizing and defining visibility metrics. We facilitate systematic evaluation by introducing GEO-bench, a large-scale benchmark of diverse user queries across multiple domains, along with relevant web sources to answer these queries. Through rigorous evaluation, we demonstrate that GEO can boost visibility by up to 40\% in GE responses. Moreover, we show the efficacy of these strategies varies across domains, underscoring the need for domain-specific optimization methods. Our work opens a new frontier in information discovery systems, with profound implications for both developers of GEs and content creators.

  • 6 authors
·
Nov 16, 2023

CorpusBrain: Pre-train a Generative Retrieval Model for Knowledge-Intensive Language Tasks

Knowledge-intensive language tasks (KILT) usually require a large body of information to provide correct answers. A popular paradigm to solve this problem is to combine a search system with a machine reader, where the former retrieves supporting evidences and the latter examines them to produce answers. Recently, the reader component has witnessed significant advances with the help of large-scale pre-trained generative models. Meanwhile most existing solutions in the search component rely on the traditional ``index-retrieve-then-rank'' pipeline, which suffers from large memory footprint and difficulty in end-to-end optimization. Inspired by recent efforts in constructing model-based IR models, we propose to replace the traditional multi-step search pipeline with a novel single-step generative model, which can dramatically simplify the search process and be optimized in an end-to-end manner. We show that a strong generative retrieval model can be learned with a set of adequately designed pre-training tasks, and be adopted to improve a variety of downstream KILT tasks with further fine-tuning. We name the pre-trained generative retrieval model as CorpusBrain as all information about the corpus is encoded in its parameters without the need of constructing additional index. Empirical results show that CorpusBrain can significantly outperform strong baselines for the retrieval task on the KILT benchmark and establish new state-of-the-art downstream performances. We also show that CorpusBrain works well under zero- and low-resource settings.

  • 6 authors
·
Aug 16, 2022 1

A Survey on Knowledge-Oriented Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) has gained significant attention in recent years for its potential to enhance natural language understanding and generation by combining large-scale retrieval systems with generative models. RAG leverages external knowledge sources, such as documents, databases, or structured data, to improve model performance and generate more accurate and contextually relevant outputs. This survey aims to provide a comprehensive overview of RAG by examining its fundamental components, including retrieval mechanisms, generation processes, and the integration between the two. We discuss the key characteristics of RAG, such as its ability to augment generative models with dynamic external knowledge, and the challenges associated with aligning retrieved information with generative objectives. We also present a taxonomy that categorizes RAG methods, ranging from basic retrieval-augmented approaches to more advanced models incorporating multi-modal data and reasoning capabilities. Additionally, we review the evaluation benchmarks and datasets commonly used to assess RAG systems, along with a detailed exploration of its applications in fields such as question answering, summarization, and information retrieval. Finally, we highlight emerging research directions and opportunities for improving RAG systems, such as enhanced retrieval efficiency, model interpretability, and domain-specific adaptations. This paper concludes by outlining the prospects for RAG in addressing real-world challenges and its potential to drive further advancements in natural language processing.

  • 12 authors
·
Mar 10, 2025

ITI-GEN: Inclusive Text-to-Image Generation

Text-to-image generative models often reflect the biases of the training data, leading to unequal representations of underrepresented groups. This study investigates inclusive text-to-image generative models that generate images based on human-written prompts and ensure the resulting images are uniformly distributed across attributes of interest. Unfortunately, directly expressing the desired attributes in the prompt often leads to sub-optimal results due to linguistic ambiguity or model misrepresentation. Hence, this paper proposes a drastically different approach that adheres to the maxim that "a picture is worth a thousand words". We show that, for some attributes, images can represent concepts more expressively than text. For instance, categories of skin tones are typically hard to specify by text but can be easily represented by example images. Building upon these insights, we propose a novel approach, ITI-GEN, that leverages readily available reference images for Inclusive Text-to-Image GENeration. The key idea is learning a set of prompt embeddings to generate images that can effectively represent all desired attribute categories. More importantly, ITI-GEN requires no model fine-tuning, making it computationally efficient to augment existing text-to-image models. Extensive experiments demonstrate that ITI-GEN largely improves over state-of-the-art models to generate inclusive images from a prompt. Project page: https://czhang0528.github.io/iti-gen.

  • 7 authors
·
Sep 11, 2023

LatentLens: Revealing Highly Interpretable Visual Tokens in LLMs

Transforming a large language model (LLM) into a Vision-Language Model (VLM) can be achieved by mapping the visual tokens from a vision encoder into the embedding space of an LLM. Intriguingly, this mapping can be as simple as a shallow MLP transformation. To understand why LLMs can so readily process visual tokens, we need interpretability methods that reveal what is encoded in the visual token representations at every layer of LLM processing. In this work, we introduce LatentLens, a novel approach for mapping latent representations to descriptions in natural language. LatentLens works by encoding a large text corpus and storing contextualized token representations for each token in that corpus. Visual token representations are then compared to their contextualized textual representations, with the top-k nearest neighbor representations providing descriptions of the visual token. We evaluate this method on 10 different VLMs, showing that commonly used methods, such as LogitLens, substantially underestimate the interpretability of visual tokens. With LatentLens instead, the majority of visual tokens are interpretable across all studied models and all layers. Qualitatively, we show that the descriptions produced by LatentLens are semantically meaningful and provide more fine-grained interpretations for humans compared to individual tokens. More broadly, our findings contribute new evidence on the alignment between vision and language representations, opening up new directions for analyzing latent representations.