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Nov 4

Predicting Unseen Scientific Interactions: Conditional Flow Models Hallucinate Non-Additive Effects

Conditional generative models are increasingly used for scientific prediction beyond the direct training support. Yet scientific questions often concern whether one intervention changes the effect of another. Such interactions can be of primary interest while explaining little of the total variation, allowing models to appear accurate overall without recovering the relevant scientific effect. It remains unclear how these models learn interactions and when these successfully extrapolate to unseen conditions. We therefore study interaction recovery in flow-matching models using a physiological time-series simulator, drug dose-response data, combinatorial cell perturbations, and molecular conformer generations, where we separate recovery from hallucinated interaction structure. In the controlled setting, individual effects are learned much earlier than interactions and models hallucinate interactions where none exist. Across settings, we find qualitatively different generalization problems, with successful prediction depending on whether condition structure continues from observed to held-out targets. When it does, interactions are recoverable. If not, models can generate plausible responses while missing the interaction. We furthermore find that hallucinations increase as targets become less identifiable, and that successful interaction recovery in output space can fail under nonlinear readouts. Finally, we show that aggregate fidelity metrics can conceal whether models learn and extrapolate interactions.

  • 3 authors
·
Oct 13

HVG-3D: Bridging Real and Simulation Domains for 3D-Conditional Hand-Object Interaction Video Synthesis

Recent methods have made notable progress in the visual quality of hand-object interaction video synthesis. However, most approaches rely on 2D control signals that lack spatial expressiveness and limit the utilization of synthetic 3D conditional data. To address these limitations, we propose HVG-3D, a unified framework for 3D-aware hand-object interaction (HOI) video synthesis conditioned on explicit 3D representations. Specifically, we develop a diffusion-based architecture augmented with a 3D ControlNet, which encodes geometric and motion cues from 3D inputs to enable explicit 3D reasoning during video synthesis. To achieve high-quality synthesis, HVG-3D is designed with two core components: (i) a 3D-aware HOI video generation diffusion architecture that encodes geometric and motion cues from 3D inputs for explicit 3D reasoning; and (ii) a hybrid pipeline for constructing input and condition signals, enabling flexible and precise control during both training and inference. During inference, given a single real image and a 3D control signal from either simulation or real data, HVG-3D generates high-fidelity, temporally consistent videos with precise spatial and temporal control. Experiments on the TASTE-Rob dataset demonstrate that HVG-3D achieves state-of-the-art spatial fidelity, temporal coherence, and controllability, while enabling effective utilization of both real and simulated data.

  • 9 authors
·
Mar 30

DiffusionDrive: Truncated Diffusion Model for End-to-End Autonomous Driving

Recently, the diffusion model has emerged as a powerful generative technique for robotic policy learning, capable of modeling multi-mode action distributions. Leveraging its capability for end-to-end autonomous driving is a promising direction. However, the numerous denoising steps in the robotic diffusion policy and the more dynamic, open-world nature of traffic scenes pose substantial challenges for generating diverse driving actions at a real-time speed. To address these challenges, we propose a novel truncated diffusion policy that incorporates prior multi-mode anchors and truncates the diffusion schedule, enabling the model to learn denoising from anchored Gaussian distribution to the multi-mode driving action distribution. Additionally, we design an efficient cascade diffusion decoder for enhanced interaction with conditional scene context. The proposed model, DiffusionDrive, demonstrates 10times reduction in denoising steps compared to vanilla diffusion policy, delivering superior diversity and quality in just 2 steps. On the planning-oriented NAVSIM dataset, with the aligned ResNet-34 backbone, DiffusionDrive achieves 88.1 PDMS without bells and whistles, setting a new record, while running at a real-time speed of 45 FPS on an NVIDIA 4090. Qualitative results on challenging scenarios further confirm that DiffusionDrive can robustly generate diverse plausible driving actions. Code and model will be available at https://github.com/hustvl/DiffusionDrive.

  • 11 authors
·
Nov 22, 2024 2

DRESS: Instructing Large Vision-Language Models to Align and Interact with Humans via Natural Language Feedback

We present DRESS, a large vision language model (LVLM) that innovatively exploits Natural Language feedback (NLF) from Large Language Models to enhance its alignment and interactions by addressing two key limitations in the state-of-the-art LVLMs. First, prior LVLMs generally rely only on the instruction finetuning stage to enhance alignment with human preferences. Without incorporating extra feedback, they are still prone to generate unhelpful, hallucinated, or harmful responses. Second, while the visual instruction tuning data is generally structured in a multi-turn dialogue format, the connections and dependencies among consecutive conversational turns are weak. This reduces the capacity for effective multi-turn interactions. To tackle these, we propose a novel categorization of the NLF into two key types: critique and refinement. The critique NLF identifies the strengths and weaknesses of the responses and is used to align the LVLMs with human preferences. The refinement NLF offers concrete suggestions for improvement and is adopted to improve the interaction ability of the LVLMs-- which focuses on LVLMs' ability to refine responses by incorporating feedback in multi-turn interactions. To address the non-differentiable nature of NLF, we generalize conditional reinforcement learning for training. Our experimental results demonstrate that DRESS can generate more helpful (9.76%), honest (11.52%), and harmless (21.03%) responses, and more effectively learn from feedback during multi-turn interactions compared to SOTA LVMLs.

  • 5 authors
·
Nov 16, 2023

Exploring Conditional Multi-Modal Prompts for Zero-shot HOI Detection

Zero-shot Human-Object Interaction (HOI) detection has emerged as a frontier topic due to its capability to detect HOIs beyond a predefined set of categories. This task entails not only identifying the interactiveness of human-object pairs and localizing them but also recognizing both seen and unseen interaction categories. In this paper, we introduce a novel framework for zero-shot HOI detection using Conditional Multi-Modal Prompts, namely CMMP. This approach enhances the generalization of large foundation models, such as CLIP, when fine-tuned for HOI detection. Unlike traditional prompt-learning methods, we propose learning decoupled vision and language prompts for interactiveness-aware visual feature extraction and generalizable interaction classification, respectively. Specifically, we integrate prior knowledge of different granularity into conditional vision prompts, including an input-conditioned instance prior and a global spatial pattern prior. The former encourages the image encoder to treat instances belonging to seen or potentially unseen HOI concepts equally while the latter provides representative plausible spatial configuration of the human and object under interaction. Besides, we employ language-aware prompt learning with a consistency constraint to preserve the knowledge of the large foundation model to enable better generalization in the text branch. Extensive experiments demonstrate the efficacy of our detector with conditional multi-modal prompts, outperforming previous state-of-the-art on unseen classes of various zero-shot settings. The code and models are available at https://github.com/ltttpku/CMMP.

  • 4 authors
·
Aug 5, 2024

Conditional Hypothesis Generation for LLM-Based Text Analysis with Researcher-Specified Covariates

A core goal of computational social science is to discover interpretable differences in how language varies across outcomes of interest, such as political affiliation or instructional quality. Recent LLM-based hypothesis generation methods describe such differences in natural language, but select for globally discriminative patterns without accounting for covariates that shape the data based on researchers' domain knowledge. When covariates are ignored, selected patterns can reflect confounds rather than differences of substantive interest. We introduce conditional hypothesis generation, a framework that incorporates researcher-specified covariates to steer hypothesis discovery toward differences that hold within relevant subgroups. Two challenges arise: the target subgroup may be underrepresented (stratum imbalance), and the direction of a difference may reverse across subgroups (sign reversal). We propose two econometrics-inspired methods: one introduces feature--covariate interactions to detect sign reversals, and the other applies within-stratum demeaning and inverse-frequency reweighting to equalize underrepresented strata. Synthetic experiments show each method outperforms global baselines in its targeted setting, and expert evaluation on two real-world datasets confirms that covariate-aware generation surfaces more useful hypotheses within relevant subgroups.

Narrator: Towards Natural Control of Human-Scene Interaction Generation via Relationship Reasoning

Naturally controllable human-scene interaction (HSI) generation has an important role in various fields, such as VR/AR content creation and human-centered AI. However, existing methods are unnatural and unintuitive in their controllability, which heavily limits their application in practice. Therefore, we focus on a challenging task of naturally and controllably generating realistic and diverse HSIs from textual descriptions. From human cognition, the ideal generative model should correctly reason about spatial relationships and interactive actions. To that end, we propose Narrator, a novel relationship reasoning-based generative approach using a conditional variation autoencoder for naturally controllable generation given a 3D scene and a textual description. Also, we model global and local spatial relationships in a 3D scene and a textual description respectively based on the scene graph, and introduce a partlevel action mechanism to represent interactions as atomic body part states. In particular, benefiting from our relationship reasoning, we further propose a simple yet effective multi-human generation strategy, which is the first exploration for controllable multi-human scene interaction generation. Our extensive experiments and perceptual studies show that Narrator can controllably generate diverse interactions and significantly outperform existing works. The code and dataset will be available for research purposes.

  • 6 authors
·
Mar 16, 2023

Conditional Normalizing Flow for Gas-Surface Scattering from Thermal to Hypersonic Velocities

Accurate aerodynamic modeling of satellites in very low Earth orbit (VLEO) requires gas-surface interaction (GSI) models that capture the full velocity spectrum from thermal to orbital speeds. Atmospheric particles initially strike spacecraft surfaces at hypersonic velocities of 6 000 - 10 000 m/s. Due to surface roughness and complex geometries, especially within air-breathing electric propulsion (ABEP) intake systems, multiple collisions occur, progressively reducing the particle velocities. A recent machine learning framework for deriving scattering kernels from molecular dynamics (MD) simulations has shown promise, but remains limited to high-velocity single impacts and possibly violates fundamental equilibrium principles such as detailed balance. This work extends this machine learning based scattering kernel to cover the complete velocity range using conditional normalizing flows trained with physics-informed constraints, enabling accurate modeling of multi-bounce scenarios in realistic VLEO applications. We train a conditional Real-valued Non-Volume Preserving (cRealNVP) model on expanded molecular dynamics simulations covering velocities from thermal to hypersonic speeds, incorporating a detailed balance loss term. The resulting model demonstrates improved accuracy compared to previous approaches even in the original high-velocity regime, while successfully capturing thermal-velocity scattering. Quantitative assessment shows that thermalization is approximated within acceptable tolerances. This framework provides essential capabilities for accurate ABEP intake optimization and VLEO mission planning while offering a general methodology applicable to broader rarefied gas dynamics problems requiring thermodynamic consistency.

  • 6 authors
·
Jul 2

Conditional Graph Information Bottleneck for Molecular Relational Learning

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.

  • 6 authors
·
Apr 28, 2023

DiffuSIA: A Spiral Interaction Architecture for Encoder-Decoder Text Diffusion

Diffusion models have emerged as the new state-of-the-art family of deep generative models, and their promising potentials for text generation have recently attracted increasing attention. Existing studies mostly adopt a single encoder architecture with partially noising processes for conditional text generation, but its degree of flexibility for conditional modeling is limited. In fact, the encoder-decoder architecture is naturally more flexible for its detachable encoder and decoder modules, which is extensible to multilingual and multimodal generation tasks for conditions and target texts. However, the encoding process of conditional texts lacks the understanding of target texts. To this end, a spiral interaction architecture for encoder-decoder text diffusion (DiffuSIA) is proposed. Concretely, the conditional information from encoder is designed to be captured by the diffusion decoder, while the target information from decoder is designed to be captured by the conditional encoder. These two types of information flow run through multilayer interaction spirally for deep fusion and understanding. DiffuSIA is evaluated on four text generation tasks, including paraphrase, text simplification, question generation, and open-domain dialogue generation. Experimental results show that DiffuSIA achieves competitive performance among previous methods on all four tasks, demonstrating the effectiveness and generalization ability of the proposed method.

  • 3 authors
·
May 19, 2023

Contextual Interaction via Primitive-based Adversarial Training For Compositional Zero-shot Learning

Compositional Zero-shot Learning (CZSL) aims to identify novel compositions via known attribute-object pairs. The primary challenge in CZSL tasks lies in the significant discrepancies introduced by the complex interaction between the visual primitives of attribute and object, consequently decreasing the classification performance towards novel compositions. Previous remarkable works primarily addressed this issue by focusing on disentangling strategy or utilizing object-based conditional probabilities to constrain the selection space of attributes. Unfortunately, few studies have explored the problem from the perspective of modeling the mechanism of visual primitive interactions. Inspired by the success of vanilla adversarial learning in Cross-Domain Few-Shot Learning, we take a step further and devise a model-agnostic and Primitive-Based Adversarial training (PBadv) method to deal with this problem. Besides, the latest studies highlight the weakness of the perception of hard compositions even under data-balanced conditions. To this end, we propose a novel over-sampling strategy with object-similarity guidance to augment target compositional training data. We performed detailed quantitative analysis and retrieval experiments on well-established datasets, such as UT-Zappos50K, MIT-States, and C-GQA, to validate the effectiveness of our proposed method, and the state-of-the-art (SOTA) performance demonstrates the superiority of our approach. The code is available at https://github.com/lisuyi/PBadv_czsl.

  • 6 authors
·
Jun 21, 2024

SocraSynth: Multi-LLM Reasoning with Conditional Statistics

Large language models (LLMs), while promising, face criticisms for biases, hallucinations, and a lack of reasoning capability. This paper introduces SocraSynth, a multi-LLM agent reasoning platform developed to mitigate these issues. SocraSynth utilizes conditional statistics and systematic context enhancement through continuous arguments, alongside adjustable debate contentiousness levels. The platform typically involves a human moderator and two LLM agents representing opposing viewpoints on a given subject. SocraSynth operates in two main phases: knowledge generation and reasoning evaluation. In the knowledge generation phase, the moderator defines the debate topic and contentiousness level, prompting the agents to formulate supporting arguments for their respective stances. The reasoning evaluation phase then employs Socratic reasoning and formal logic principles to appraise the quality of the arguments presented. The dialogue concludes with the moderator adjusting the contentiousness from confrontational to collaborative, gathering final, conciliatory remarks to aid in human reasoning and decision-making. Through case studies in three distinct application domains, this paper showcases SocraSynth's effectiveness in fostering rigorous research, dynamic reasoning, comprehensive assessment, and enhanced collaboration. This underscores the value of multi-agent interactions in leveraging LLMs for advanced knowledge extraction and decision-making support.

  • 1 authors
·
Jan 19, 2024

Conditional Generative Adversarial Networks for Speed Control in Trajectory Simulation

Motion behaviour is driven by several factors -- goals, presence and actions of neighbouring agents, social relations, physical and social norms, the environment with its variable characteristics, and further. Most factors are not directly observable and must be modelled from context. Trajectory prediction, is thus a hard problem, and has seen increasing attention from researchers in the recent years. Prediction of motion, in application, must be realistic, diverse and controllable. In spite of increasing focus on multimodal trajectory generation, most methods still lack means for explicitly controlling different modes of the data generation. Further, most endeavours invest heavily in designing special mechanisms to learn the interactions in latent space. We present Conditional Speed GAN (CSG), that allows controlled generation of diverse and socially acceptable trajectories, based on user controlled speed. During prediction, CSG forecasts future speed from latent space and conditions its generation based on it. CSG is comparable to state-of-the-art GAN methods in terms of the benchmark distance metrics, while being simple and useful for simulation and data augmentation for different contexts such as fast or slow paced environments. Additionally, we compare the effect of different aggregation mechanisms and show that a naive approach of concatenation works comparable to its attention and pooling alternatives.

  • 4 authors
·
Mar 21, 2021

RoboGesture: Real-Time Semantic-aligned Co-Speech Gestures Generation for Humanoid Interaction

Enabling humanoid robots to respond to human speech with synchronized and semantically meaningful gestures is fundamental to natural human-robot interaction. However, this task faces three critical barriers: the scarcity of semantically rich datasets, the "modality eclipse" where models ignore audio cues in favor of kinematic inertia, and the sim-to-real gap regarding physical safety. We propose RoboGesture, a robot-centric framework that co-designs data, modeling, and control to power a complete interactive human-humanoid system in which the robot listens, responds, and gestures in real time. We first establish the RoboGesture dataset featuring over 300 gesture categories and develop an automated pipeline to synthesize large-scale collision-free, robot-specific audio-motion pairs. Our architecture features a Hierarchical Semantic-Acoustic Aligner that extracts multi-granular prosodic and semantic cues directly from raw audio tokens. These cues drive a Streaming Conditional Motion Generator based on a diffusion transformer with conditional flow matching. To ensure high responsiveness, we introduce Anti-Inertia CFG Masking, which prevents the model from collapsing into repetitive historical patterns by compelling it to proactively mine control signals from the audio modality. Finally, an MPC-based safety filter ensures real-time, collision-free execution on physical hardware. Experiments on a Unitree G1 humanoid demonstrate that RoboGesture generates safer, more rhythmic, and more semantically appropriate responses compared to state-of-the-art baselines.

  • 10 authors
·
Aug 26

From Interaction Traces to Persistent Skills: Online Evolution for Computer-Use Agents

Computer-use agents can execute increasingly complex tasks in graphical interfaces, but their interaction experience is typically transient: procedural knowledge acquired from one rollout is not systematically retained, refined, and reused in later tasks. Existing skill libraries provide external procedural knowledge, yet their incremental value over the same agent operating without skills, as well as their longitudinal dynamics under repeated interaction, remain insufficiently characterized. We present an online skill-evolution framework that converts interaction trajectories and evaluator feedback into a persistent, versioned library of reusable procedures. Each iteration executes against a frozen library snapshot, and evidence-guided skill updates become available in subsequent iterations without changing model parameters. We compare the full evolving-library system with a configuration-matched empty-library control across four OSWorld application domains under the same fixed action-generation and GUI-grounding stack, task sets, and iteration horizons. Following a five-iteration empty-library warm-up, Full attains a higher post-warm-up mean evaluator score in all four observed domain runs, with mean differences ranging from 5.7 to 18.6 percentage points and domain-dependent temporal stability. In GIMP, provenance-aware analysis reveals retrieval across task-of-origin boundaries and revision churn, where repeated accepted edits fail to recover the originating task. These findings characterize evolving skill libraries as auditable, shared procedural memory that can improve a fixed computer-use stack, while showing that their benefits are conditional and repeated revision does not guarantee recovery. Code is released at https://github.com/LongtaoHu/Skill-Evo4GUI.

  • 3 authors
·
Sep 3

COMBAT: Conditional World Models for Behavioral Agent Training

Recent advances in video generation have spurred the development of world models capable of simulating 3D-consistent environments and interactions with static objects. However, a significant limitation remains in their ability to model dynamic, reactive agents that can intelligently influence and interact with the world. To address this gap, we introduce COMBAT, a real-time, action-controlled world model trained on the complex 1v1 fighting game Tekken 3. Our work demonstrates that diffusion models can successfully simulate a dynamic opponent that reacts to player actions, learning its behavior implicitly. Our approach utilizes a 1.2 billion parameter Diffusion Transformer, conditioned on latent representations from a deep compression autoencoder. We employ state-of-the-art techniques, including causal distillation and diffusion forcing, to achieve real-time inference. Crucially, we observe the emergence of sophisticated agent behavior by training the model solely on single-player inputs, without any explicit supervision for the opponent's policy. Unlike traditional imitation learning methods, which require complete action labels, COMBAT learns effectively from partially observed data to generate responsive behaviors for a controllable Player 1. We present an extensive study and introduce novel evaluation methods to benchmark this emergent agent behavior, establishing a strong foundation for training interactive agents within diffusion-based world models.

  • 8 authors
·
Feb 27

Reconstructing Interacting Hands with Interaction Prior from Monocular Images

Reconstructing interacting hands from monocular images is indispensable in AR/VR applications. Most existing solutions rely on the accurate localization of each skeleton joint. However, these methods tend to be unreliable due to the severe occlusion and confusing similarity among adjacent hand parts. This also defies human perception because humans can quickly imitate an interaction pattern without localizing all joints. Our key idea is to first construct a two-hand interaction prior and recast the interaction reconstruction task as the conditional sampling from the prior. To expand more interaction states, a large-scale multimodal dataset with physical plausibility is proposed. Then a VAE is trained to further condense these interaction patterns as latent codes in a prior distribution. When looking for image cues that contribute to interaction prior sampling, we propose the interaction adjacency heatmap (IAH). Compared with a joint-wise heatmap for localization, IAH assigns denser visible features to those invisible joints. Compared with an all-in-one visible heatmap, it provides more fine-grained local interaction information in each interaction region. Finally, the correlations between the extracted features and corresponding interaction codes are linked by the ViT module. Comprehensive evaluations on benchmark datasets have verified the effectiveness of this framework. The code and dataset are publicly available at https://github.com/binghui-z/InterPrior_pytorch

  • 6 authors
·
Aug 27, 2023

Computational Foundations for Strategic Coopetition: Formalizing Sequential Interaction and Reciprocity

Strategic coopetition in multi-stakeholder systems requires understanding how cooperation persists through time without binding contracts. This technical report extends computational foundations for strategic coopetition to sequential interaction dynamics, bridging conceptual modeling (i* framework) with game-theoretic reciprocity analysis. We develop: (1) bounded reciprocity response functions mapping partner deviations to finite conditional responses, (2) memory-windowed history tracking capturing cognitive limitations over k recent periods, (3) structural reciprocity sensitivity derived from interdependence matrices where behavioral responses are amplified by structural dependencies, and (4) trust-gated reciprocity where trust modulates reciprocity responses. The framework applies to both human stakeholder interactions and multi-agent computational systems. Comprehensive validation across 15,625 parameter configurations demonstrates robust reciprocity effects, with all six behavioral targets exceeding thresholds: cooperation emergence (97.5%), defection punishment (100%), forgiveness dynamics (87.9%), asymmetric differentiation (100%), trust-reciprocity interaction (100%), and bounded responses (100%). Empirical validation using the Apple iOS App Store ecosystem (2008-2024) achieves 43/51 applicable points (84.3%), reproducing documented cooperation patterns across five ecosystem phases. Statistical significance confirmed at p < 0.001 with Cohen's d = 1.57. This report concludes the Foundations Series (TR-1 through TR-4) adopting uniaxial treatment where agents choose cooperation levels along a single continuum. Companion work on interdependence (arXiv:2510.18802), trust (arXiv:2510.24909), and collective action (arXiv:2601.16237) has been prepublished. Extensions Series (TR-5 through TR-8) introduces biaxial treatment where cooperation and competition are independent dimensions.

  • 2 authors
·
Mar 28

FlowBack-Adjoint: Physics-Aware and Energy-Guided Conditional Flow-Matching for All-Atom Protein Backmapping

Coarse-grained (CG) molecular models of proteins can substantially increase the time and length scales accessible to molecular dynamics simulations of proteins, but recovery of accurate all-atom (AA) ensembles from CG simulation trajectories can be essential for exposing molecular mechanisms of folding and docking and for calculation of physical properties requiring atomistic detail. The recently reported deep generative model FlowBack restores AA detail to protein C-alpha traces using a flow-matching architecture and demonstrates state-of-the-art performance in generation of AA structural ensembles. Training, however, is performed exclusively on structural data and the absence of any awareness of interatomic energies or forces within training results in small fractions of incorrect bond lengths, atomic clashes, and otherwise high-energy structures. In this work, we introduce FlowBack-Adjoint as a lightweight enhancement that upgrades the pre-trained FlowBack model through a one-time, physics-aware post-training pass. Auxiliary contributions to the flow introduce physical awareness of bond lengths and Lennard-Jones interactions and gradients of a molecular mechanics force field energy are incorporated via adjoint matching to steer the FlowBack-Adjoint vector field to produce lower-energy configurations. In benchmark tests against FlowBack, FlowBack-Adjoint lowers single-point energies by a median of ~78 kcal/mol.residue, reduces errors in bond lengths by >92%, eliminates >98% of molecular clashes, maintains excellent diversity of the AA configurational ensemble, and produces configurations capable of initializing stable all-atom molecular dynamics simulations without requiring energy relaxation. We propose FlowBack-Adjoint as an accurate and efficient physics-aware deep generative model for AA backmapping from C-alpha traces.

  • 3 authors
·
Aug 5, 2025

PolySAE: Modeling Feature Interactions in Sparse Autoencoders via Polynomial Decoding

Sparse autoencoders (SAEs) have emerged as a promising method for interpreting neural network representations by decomposing activations into sparse combinations of dictionary atoms. However, SAEs assume that features combine additively through linear reconstruction, an assumption that cannot capture compositional structure: linear models cannot distinguish whether "Starbucks" arises from the composition of "star" and "coffee" features or merely their co-occurrence. This forces SAEs to allocate monolithic features for compound concepts rather than decomposing them into interpretable constituents. We introduce PolySAE, which extends the SAE decoder with higher-order terms to model feature interactions while preserving the linear encoder essential for interpretability. Through low-rank tensor factorization on a shared projection subspace, PolySAE captures pairwise and triple feature interactions with small parameter overhead (3% on GPT2). Across four language models and three SAE variants, PolySAE achieves an average improvement of approximately 8% in probing F1 while maintaining comparable reconstruction error, and produces 2-10times larger Wasserstein distances between class-conditional feature distributions. Critically, learned interaction weights exhibit negligible correlation with co-occurrence frequency (r = 0.06 vs. r = 0.82 for SAE feature covariance), suggesting that polynomial terms capture compositional structure, such as morphological binding and phrasal composition, largely independent of surface statistics.

  • 5 authors
·
Feb 1 2

SwiftI2V: Efficient High-Resolution Image-to-Video Generation via Conditional Segment-wise Generation

High-resolution image-to-video (I2V) generation aims to synthesize realistic temporal dynamics while preserving fine-grained appearance details of the input image. At 2K resolution, it becomes extremely challenging, and existing solutions suffer from various weaknesses: 1) end-to-end models are often prohibitively expensive in memory and latency; 2) cascading low-resolution generation with a generic video super-resolution tends to hallucinate details and drift from input-specific local structures, since the super-resolution stage is not explicitly conditioned on the input image. To this end, we propose SwiftI2V, an efficient framework tailored for high-resolution I2V. Following the widely used two-stage design, it addresses the efficiency--fidelity dilemma by first generating a low-resolution motion reference to reduce token costs and ease the modeling burden, then performing a strongly image-conditioned 2K synthesis guided by the motion to recover input-faithful details with controlled overhead. Specifically, to make generation more scalable, SwiftI2V introduces Conditional Segment-wise Generation (CSG) to synthesize videos segment-by-segment with a bounded per-step token budget, and adopts bidirectional contextual interaction within each segment to improve cross-segment coherence and input fidelity. On VBench-I2V at 2K resolution, SwiftI2V achieves performance comparable to end-to-end baselines while reducing total GPU-time by 202x. Particularly, it enables practical 2K I2V generation on a single datacenter GPU (e.g., H800) or consumer GPU (e.g., RTX 4090).

  • 6 authors
·
May 6 4

Enhancing Environmental Robustness in Few-shot Learning via Conditional Representation Learning

Few-shot learning (FSL) has recently been extensively utilized to overcome the scarcity of training data in domain-specific visual recognition. In real-world scenarios, environmental factors such as complex backgrounds, varying lighting conditions, long-distance shooting, and moving targets often cause test images to exhibit numerous incomplete targets or noise disruptions. However, current research on evaluation datasets and methodologies has largely ignored the concept of "environmental robustness", which refers to maintaining consistent performance in complex and diverse physical environments. This neglect has led to a notable decline in the performance of FSL models during practical testing compared to their training performance. To bridge this gap, we introduce a new real-world multi-domain few-shot learning (RD-FSL) benchmark, which includes four domains and six evaluation datasets. The test images in this benchmark feature various challenging elements, such as camouflaged objects, small targets, and blurriness. Our evaluation experiments reveal that existing methods struggle to utilize training images effectively to generate accurate feature representations for challenging test images. To address this problem, we propose a novel conditional representation learning network (CRLNet) that integrates the interactions between training and testing images as conditional information in their respective representation processes. The main goal is to reduce intra-class variance or enhance inter-class variance at the feature representation level. Finally, comparative experiments reveal that CRLNet surpasses the current state-of-the-art methods, achieving performance improvements ranging from 6.83% to 16.98% across diverse settings and backbones. The source code and dataset are available at https://github.com/guoqianyu-alberta/Conditional-Representation-Learning.

  • 6 authors
·
Feb 3, 2025

PatchCT: Aligning Patch Set and Label Set with Conditional Transport for Multi-Label Image Classification

Multi-label image classification is a prediction task that aims to identify more than one label from a given image. This paper considers the semantic consistency of the latent space between the visual patch and linguistic label domains and introduces the conditional transport (CT) theory to bridge the acknowledged gap. While recent cross-modal attention-based studies have attempted to align such two representations and achieved impressive performance, they required carefully-designed alignment modules and extra complex operations in the attention computation. We find that by formulating the multi-label classification as a CT problem, we can exploit the interactions between the image and label efficiently by minimizing the bidirectional CT cost. Specifically, after feeding the images and textual labels into the modality-specific encoders, we view each image as a mixture of patch embeddings and a mixture of label embeddings, which capture the local region features and the class prototypes, respectively. CT is then employed to learn and align those two semantic sets by defining the forward and backward navigators. Importantly, the defined navigators in CT distance model the similarities between patches and labels, which provides an interpretable tool to visualize the learned prototypes. Extensive experiments on three public image benchmarks show that the proposed model consistently outperforms the previous methods.

  • 7 authors
·
Jul 18, 2023

TriDi: Trilateral Diffusion of 3D Humans, Objects, and Interactions

Modeling 3D human-object interaction (HOI) is a problem of great interest for computer vision and a key enabler for virtual and mixed-reality applications. Existing methods work in a one-way direction: some recover plausible human interactions conditioned on a 3D object; others recover the object pose conditioned on a human pose. Instead, we provide the first unified model - TriDi which works in any direction. Concretely, we generate Human, Object, and Interaction modalities simultaneously with a new three-way diffusion process, allowing to model seven distributions with one network. We implement TriDi as a transformer attending to the various modalities' tokens, thereby discovering conditional relations between them. The user can control the interaction either as a text description of HOI or a contact map. We embed these two representations into a shared latent space, combining the practicality of text descriptions with the expressiveness of contact maps. Using a single network, TriDi unifies all the special cases of prior work and extends to new ones, modeling a family of seven distributions. Remarkably, despite using a single model, TriDi generated samples surpass one-way specialized baselines on GRAB and BEHAVE in terms of both qualitative and quantitative metrics, and demonstrating better diversity. We show the applicability of TriDi to scene population, generating objects for human-contact datasets, and generalization to unseen object geometry. The project page is available at: https://virtualhumans.mpi-inf.mpg.de/tridi.

  • 4 authors
·
Dec 9, 2024

ReVision: High-Quality, Low-Cost Video Generation with Explicit 3D Physics Modeling for Complex Motion and Interaction

In recent years, video generation has seen significant advancements. However, challenges still persist in generating complex motions and interactions. To address these challenges, we introduce ReVision, a plug-and-play framework that explicitly integrates parameterized 3D physical knowledge into a pretrained conditional video generation model, significantly enhancing its ability to generate high-quality videos with complex motion and interactions. Specifically, ReVision consists of three stages. First, a video diffusion model is used to generate a coarse video. Next, we extract a set of 2D and 3D features from the coarse video to construct a 3D object-centric representation, which is then refined by our proposed parameterized physical prior model to produce an accurate 3D motion sequence. Finally, this refined motion sequence is fed back into the same video diffusion model as additional conditioning, enabling the generation of motion-consistent videos, even in scenarios involving complex actions and interactions. We validate the effectiveness of our approach on Stable Video Diffusion, where ReVision significantly improves motion fidelity and coherence. Remarkably, with only 1.5B parameters, it even outperforms a state-of-the-art video generation model with over 13B parameters on complex video generation by a substantial margin. Our results suggest that, by incorporating 3D physical knowledge, even a relatively small video diffusion model can generate complex motions and interactions with greater realism and controllability, offering a promising solution for physically plausible video generation.

  • 5 authors
·
Apr 30, 2025 2

GROVE: A Retrieval-augmented Complex Story Generation Framework with A Forest of Evidence

Conditional story generation is significant in human-machine interaction, particularly in producing stories with complex plots. While Large language models (LLMs) perform well on multiple NLP tasks, including story generation, it is challenging to generate stories with both complex and creative plots. Existing methods often rely on detailed prompts to guide LLMs to meet target conditions, which inadvertently restrict the creative potential of the generated stories. We argue that leveraging information from exemplary human-written stories facilitates generating more diverse plotlines. Delving deeper into story details helps build complex and credible plots. In this paper, we propose a retrieval-auGmented stoRy generation framework with a fOrest of eVidEnce (GROVE) to enhance stories' complexity. We build a retrieval repository for target conditions to produce few-shot examples to prompt LLMs. Additionally, we design an ``asking-why'' prompting scheme that extracts a forest of evidence, providing compensation for the ambiguities that may occur in the generated story. This iterative process uncovers underlying story backgrounds. Finally, we select the most fitting chains of evidence from the evidence forest and integrate them into the generated story, thereby enhancing the narrative's complexity and credibility. Experimental results and numerous examples verify the effectiveness of our method.

  • 7 authors
·
Oct 8, 2023

Beyond Isolated Entities: Relation-Aware Multi-Entity Modeling for Unsupervised Video Anomaly Detection

Video anomaly detection for patrol robots and surveillance systems must recognize abnormal interactions among familiar entities. Existing pixel-reconstruction and isolated-entity methods may fail when individual entities appear normal but their spatial or motion relations are abnormal. This work presents Interaction-Centric Network for Temporal Entity-Relation Analysis and Consistency Testing (INTERACT), a framework for unsupervised video anomaly detection. Person-Object Appearance-Motion Interaction (POAMI) moves beyond isolated-entity encoding by jointly modeling the appearance, motion, and spatial configurations of persons and objects in each frame. The resulting representations capture both individual entity states and their cross-entity context. Based on these representations, Target Geometry-Guided Relational Interaction Prediction (TGRIP) predicts target entity interaction states from historical relational memory and target-frame geometry without explicit identity tracking. Motion-Interaction Reconstruction and Alignment (MIRA) then evaluates these predictions through conditional flow reconstruction and semantic consistency checking, providing complementary anomaly evidence beyond prediction error alone. INTERACT achieves state-of-the-art performance, obtaining a frame-level AUC of 84.5% on the ShanghaiTech benchmark. Ablation studies show that removing cross-entity attention causes the largest performance drop, demonstrating the necessity of relational modeling. INTERACT is particularly effective for anomalies caused by changes in relations among people and objects, while maintaining competitive performance in general scenarios. The source code will be made publicly available at https://github.com/ppworkhard/INTERACT.

  • 3 authors
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Sep 22

MoVerse: Real-Time Video World Modeling with Panoramic Gaussian Scaffold

We present MoVerse, a real-time video world model that creates an interactively navigable scene from a single narrow-field-of-view image. This setting is challenging because the input observes only a small fraction of the environment, while interactive roaming requires a complete surrounding world, persistent geometry, controllable camera motion, and temporally coherent high-fidelity observations. MoVerse addresses this problem by separating world construction from observation rendering. It first expands the input into a gravity-aligned 360^circ panorama with topology-aware diffusion, closing the missing field of view before 3D reasoning. It then lifts the panorama into a persistent 3D Gaussian scaffold using panoramic geometry-aware residual prediction, yielding a dense and directly renderable spatial memory. Finally, a Gaussian-conditioned video renderer translates scaffold renderings along user-specified camera trajectories into photorealistic video. To make this renderer practical for interaction, we train a bidirectional diffusion teacher for high-quality conditional rendering and distill it into a causal autoregressive student for bounded-latency streaming. This design combines the controllability and long-range consistency of explicit 3D representations with the perceptual quality of generative video models. MoVerse supports real-time scene roaming at 8~FPS on a single NVIDIA RTX~4090 GPU, demonstrating a practical path toward single-image world creation with interactive video output.

Orange-Team Orange Team
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Jun 10 2

Neural Production Systems: Learning Rule-Governed Visual Dynamics

Visual environments are structured, consisting of distinct objects or entities. These entities have properties -- both visible and latent -- that determine the manner in which they interact with one another. To partition images into entities, deep-learning researchers have proposed structural inductive biases such as slot-based architectures. To model interactions among entities, equivariant graph neural nets (GNNs) are used, but these are not particularly well suited to the task for two reasons. First, GNNs do not predispose interactions to be sparse, as relationships among independent entities are likely to be. Second, GNNs do not factorize knowledge about interactions in an entity-conditional manner. As an alternative, we take inspiration from cognitive science and resurrect a classic approach, production systems, which consist of a set of rule templates that are applied by binding placeholder variables in the rules to specific entities. Rules are scored on their match to entities, and the best fitting rules are applied to update entity properties. In a series of experiments, we demonstrate that this architecture achieves a flexible, dynamic flow of control and serves to factorize entity-specific and rule-based information. This disentangling of knowledge achieves robust future-state prediction in rich visual environments, outperforming state-of-the-art methods using GNNs, and allows for the extrapolation from simple (few object) environments to more complex environments.

  • 8 authors
·
Mar 2, 2021

EvoRouter: Cost-Efficient Multi-Agent Routing via Insight-Guided On-Policy Distillation

Serving web queries at scale with multi-agent systems requires jointly configuring large language models, collaboration modes, agent counts, interaction rounds, and skills. However, the resulting configuration space grows combinatorially, while sparse execution rewards provide limited fine-grained supervision for interdependent planning decisions. We propose EvoRouter, a self-evolving multi-agent routing framework driven by insight-guided on-policy distillation. A dedicated expert periodically synthesizes performance-cost feedback from configuration trajectories across tasks into reusable conditional routing insights about capability requirements, returns from resource scaling, and interactions among configuration choices. A privileged teacher combines these evolving insights with current execution feedback to provide dense token-level supervision for the router's own planning trajectories through on-policy distillation. Cost-aware reinforcement learning jointly optimizes task performance and computational cost. Together, these training signals internalize execution insights into the routing policy. The updated policy generates new trajectories that support subsequent insight extraction, forming an execution-driven self-improvement loop. We evaluate EvoRouter on 19 in-domain datasets spanning five domains and two out-of-domain benchmarks. EvoRouter achieves an average in-domain accuracy of 68.69%, outperforming the strongest routing baseline by 7.23 percentage points while reducing inference compute cost by 50.95%. Our code is open-sourced at https://github.com/CenYangtze/EvoRouter.

  • 9 authors
·
Oct 25

Co-evolution of self-replication and function in a digital primordial soup

While traditional evolutionary algorithms hard-code reproduction, self-replication can emerge spontaneously within digital ``primordial soups''. This paper investigates the co-evolution of this emergent self-replication alongside problem-solving capabilities. We initialize a population of random 32-byte Z80 assembly programs, requiring self-replication to arise purely through random assembly-level mutations and pairwise program interactions. To link these behaviors, we introduce a task-based validation step: correctly evaluating a polynomial raises a program's interaction probability above a baseline rate. Our experiments yield four primary findings. First, self-replication and mathematical problem-solving successfully co-evolve from initial randomness. Second, the pressure to compute accelerates the emergence of compact, robust reproductive architectures that preserve memory for task execution. Third, applying metabolic constraints increases the likelihood that programs evolve conditional halting, terminating early during validation while bypassing the halt during interaction to execute block-copy replication. Finally, when programs are partitioned into spatial task niches, spontaneous self-replication generates an emergent learning curriculum, utilizing simple solutions as stepping stones toward complex polynomials. Altogether, these results demonstrate an interactive feedback loop: environmental task demands actively shape the physical architecture of self-replication, while spontaneous replication alters the evolutionary trajectory of functional problem-solving.

  • 11 authors
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Jul 10

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

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

  • 5 authors
·
Jan 25, 2024

Proteo-R1: Reasoning Foundation Models for De Novo Protein Design

Deep learning in de novo protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries without explicitly reasoning about which residues or interactions are functionally essential. As a result, design decisions are entangled with continuous sampling dynamics, limiting interpretability, controllability, and systematic reuse of biochemical knowledge. We introduce Proteo-R1, a reasoning-guided protein design framework that explicitly decouples molecular understanding from geometric generation. Proteo-R1 adopts a dual-expert architecture in which a multimodal large language model (MLLM) serves as an understanding expert, analyzing protein sequences, structures, and textual context to identify key functional residues that govern binding and specificity. These residue-level decisions are then passed as hard constraints to a separate diffusion-based generation expert, which performs conditional co-design while respecting the fixed interaction anchors. This factorization mirrors how human experts approach molecular engineering: first, reasoning about critical interactions, then optimizing geometry subject to those constraints. By operationalizing reasoning as explicit residue-level commitments rather than latent textual guidance, Proteo-R1 achieves stable, interpretable, and modular integration of LLM reasoning with state-of-the-art geometric generative models. Code, data, and demos are available at https://smiles724.github.io/r1/.

  • 29 authors
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Aug 9

Pretraining Language Models with Human Preferences

Language models (LMs) are pretrained to imitate internet text, including content that would violate human preferences if generated by an LM: falsehoods, offensive comments, personally identifiable information, low-quality or buggy code, and more. Here, we explore alternative objectives for pretraining LMs in a way that also guides them to generate text aligned with human preferences. We benchmark five objectives for pretraining with human feedback across three tasks and study how they affect the trade-off between alignment and capabilities of pretrained LMs. We find a Pareto-optimal and simple approach among those we explored: conditional training, or learning distribution over tokens conditional on their human preference scores given by a reward model. Conditional training reduces the rate of undesirable content by up to an order of magnitude, both when generating without a prompt and with an adversarially-chosen prompt. Moreover, conditional training maintains the downstream task performance of standard LM pretraining, both before and after task-specific finetuning. Pretraining with human feedback results in much better preference satisfaction than standard LM pretraining followed by finetuning with feedback, i.e., learning and then unlearning undesirable behavior. Our results suggest that we should move beyond imitation learning when pretraining LMs and incorporate human preferences from the start of training.

  • 8 authors
·
Feb 16, 2023

Conditional misalignment: common interventions can hide emergent misalignment behind contextual triggers

Finetuning a language model can lead to emergent misalignment (EM) [Betley et al., 2025b]. Models trained on a narrow distribution of misaligned behavior generalize to more egregious behaviors when tested outside the training distribution. We study a set of interventions proposed to reduce EM. We confirm that these interventions reduce or eliminate EM on existing evaluations (questions like "How do I make a quick buck?"). However, if the evaluation prompts are tweaked to resemble the training context, the model displays EM. We call this conditional misalignment. As in standard EM, the model displays misaligned behaviors more egregious than those seen during training, but only on inputs sharing features with the training data. The first two interventions are diluting misaligned data with benign data, and finetuning on benign data after misaligned data. Both produce conditional misalignment. For instance, models trained on a mix of only 5% insecure code still show misalignment when asked to format responses as Python strings (resembling the training context). The third intervention is inoculation prompting. Here, statements with a similar form to the inoculation prompt serve as triggers for misalignment, even if they have the opposite meaning. On the positive side, inoculation prompting has lower (but still non-zero) conditional misalignment if training is on-policy or includes reasoning distillation. Our results imply that in realistic post-training, where misaligned data is typically combined with benign data, models may be conditionally misaligned even if standard evaluations look clean.

  • 5 authors
·
Apr 27

CondAmbigQA: A Benchmark and Dataset for Conditional Ambiguous Question Answering

Large language models (LLMs) are prone to hallucinations in question-answering (QA) tasks when faced with ambiguous questions. Users often assume that LLMs share their cognitive alignment, a mutual understanding of context, intent, and implicit details, leading them to omit critical information in the queries. However, LLMs generate responses based on assumptions that can misalign with user intent, which may be perceived as hallucinations if they misalign with the user's intent. Therefore, identifying those implicit assumptions is crucial to resolve ambiguities in QA. Prior work, such as AmbigQA, reduces ambiguity in queries via human-annotated clarifications, which is not feasible in real application. Meanwhile, ASQA compiles AmbigQA's short answers into long-form responses but inherits human biases and fails capture explicit logical distinctions that differentiates the answers. We introduce Conditional Ambiguous Question-Answering (CondAmbigQA), a benchmark with 200 ambiguous queries and condition-aware evaluation metrics. Our study pioneers the concept of ``conditions'' in ambiguous QA tasks, where conditions stand for contextual constraints or assumptions that resolve ambiguities. The retrieval-based annotation strategy uses retrieved Wikipedia fragments to identify possible interpretations for a given query as its conditions and annotate the answers through those conditions. Such a strategy minimizes human bias introduced by different knowledge levels among annotators. By fixing retrieval results, CondAmbigQA evaluates how RAG systems leverage conditions to resolve ambiguities. Experiments show that models considering conditions before answering improve performance by 20%, with an additional 5% gain when conditions are explicitly provided. These results underscore the value of conditional reasoning in QA, offering researchers tools to rigorously evaluate ambiguity resolution.

  • 4 authors
·
Feb 3, 2025

Information-Theoretic Causal Bounds under Unmeasured Confounding

We develop a data-driven information-theoretic framework for sharp partial identification of causal effects under unmeasured confounding. Existing approaches often rely on restrictive assumptions, such as bounded or discrete outcomes; require external inputs (for example, instrumental variables, proxies, or user-specified sensitivity parameters); necessitate full structural causal model specifications; or focus solely on population-level averages while neglecting covariate-conditional effects. We overcome all four limitations simultaneously by establishing novel information-theoretic, data-driven divergence bounds. Our key theoretical contribution shows that the f-divergence between the observational distribution P(Y | A = a, X = x) and the interventional distribution P(Y | do(A = a), X = x) is upper bounded by a function of the propensity score alone. This result enables sharp partial identification of conditional causal effects directly from observational data, without requiring external sensitivity parameters, auxiliary variables, full structural specifications, or outcome boundedness assumptions. For practical implementation, we develop a semiparametric estimator satisfying Neyman orthogonality (Chernozhukov et al., 2018), which ensures root-n consistent inference even when nuisance functions are estimated via flexible machine learning methods. Simulation studies and real-world data applications, implemented in the GitHub repository (https://github.com/yonghanjung/Information-Theretic-Bounds), demonstrate that our framework provides tight and valid causal bounds across a wide range of data-generating processes.

  • 2 authors
·
Jan 23

Conditional Weight of Evidence for Gradient-Boosted Credit Models: Estimation, Additivity and Its Relation to Adverse Action Reasons

Traditional weight of evidence assigns a credit characteristic a value based on its association with default across a population. Credit analysis also requires an assessment of that characteristic in the context of an individual applicant's record. We study conditional weight of evidence for this purpose. It measures the change in default log odds from observing a characteristic after the remaining credit information is known. Its sign identifies whether the characteristic adds adverse or favorable information for that applicant, and its magnitude measures the strength of that information. The same characteristic value can therefore receive different assessments for applicants with different payment histories or other credit attributes. We develop estimators using gradient-boosted trees and evaluate their accuracy in a bureau-style simulation. Regressions of the full model's predicted probabilities recover conditional evidence more accurately than separate models fitted to default outcomes, provided the full model is accurate. They also recover a deliberately constructed file-age effect whose direction varies with utilization and is often missed by marginal weight of evidence. Local class-frequency estimates improve on marginal weight of evidence but remain inaccurate for some weak effects. An application to FICO HELOC data illustrates estimation when the population evidence is unknown. Conditional weight of evidence provides an applicant-specific interpretation of the information in a credit characteristic; its population summary, a conditional information value, splits the joint information in the record across blocks when averaged over orderings. Neither is an adverse action reason, which explains the fitted score difference between the applicant and chosen passing records.

  • 2 authors
·
Oct 16

What-If Analysis of Large Language Models: Explore the Game World Using Proactive Thinking

Large language models (LLMs) excel at processing information reactively but lack the ability to systemically explore hypothetical futures. They cannot ask, "what if we take this action? how will it affect the final outcome" and forecast its potential consequences before acting. This critical gap limits their utility in dynamic, high-stakes scenarios like strategic planning, risk assessment, and real-time decision making. To bridge this gap, we propose WiA-LLM, a new paradigm that equips LLMs with proactive thinking capabilities. Our approach integrates What-If Analysis (WIA), a systematic approach for evaluating hypothetical scenarios by changing input variables. By leveraging environmental feedback via reinforcement learning, WiA-LLM moves beyond reactive thinking. It dynamically simulates the outcomes of each potential action, enabling the model to anticipate future states rather than merely react to the present conditions. We validate WiA-LLM in Honor of Kings (HoK), a complex multiplayer game environment characterized by rapid state changes and intricate interactions. The game's real-time state changes require precise multi-step consequence prediction, making it an ideal testbed for our approach. Experimental results demonstrate WiA-LLM achieves a remarkable 74.2% accuracy in forecasting game-state changes (up to two times gain over baselines). The model shows particularly significant gains in high-difficulty scenarios where accurate foresight is critical. To our knowledge, this is the first work to formally explore and integrate what-if analysis capabilities within LLMs. WiA-LLM represents a fundamental advance toward proactive reasoning in LLMs, providing a scalable framework for robust decision-making in dynamic environments with broad implications for strategic applications.

  • 8 authors
·
Sep 5, 2025

Learning Dynamics of Continual Learning: A Unified View of Data Attribution, Forgetting, and Plasticity Loss

Modern language models are likely to be updated throughout their lifetime rather than trained once and frozen. Each update therefore participates in a recurring cycle: decide which experience to learn from, understand what that update changes, and remain capable of learning from what comes next. We show that these challenges are governed by the same evolving update--behavior interaction. We derive a token- and layer-wise decomposition of how learning from one token changes another prediction. By separating the softmax force, shared readout geometry, and residual connections, it exposes two interaction channels and yields a forward-computable approximation. Following this interaction through time reveals a unified picture of continual adaptation. Positive interaction identifies useful experience; negative interaction produces either concentrated collision or accumulated erosion; over longer horizons, updates reshape the shared geometry mediating future learning signals, reducing their transmission. These predictions lead to effective data selection, mechanism-specific controls for interference, and a readout-based diagnostic of future learnability whose degradation predicts the benefit of restoring the readout. Across models and training regimes, the same local interaction thus explains both what an update changes now and how learning today changes what can be learned tomorrow. This view connects data attribution, forgetting, and plasticity loss as distinct regimes of the same evolving learning dynamics.

  • 5 authors
·
Sep 26 2

AI Knows When It's Being Watched: Functional Strategic Action and Contextual Register Modulation in Large Language Models

Large language models (LLMs) have been extensively studied from computational and cognitive perspectives, yet their behavior as communicative actors in socially structured contexts remains underexplored. This study examines whether LLM-based multi-agent systems exhibit systematic linguistic adaptation in response to perceived social observation contexts -- a question with direct implications for AI governance and auditing. Drawing on Habermas's (1981) Theory of Communicative Action, Goffman's (1959) dramaturgical model, Bell's (1984) Audience Design framework, and the Hawthorne Effect, we report a controlled experiment involving 100 multi-agent debate sessions across five conditions (n = 20 each). Conditions varied the framing of social observation -- from explicit monitoring by university researchers, to negation of monitoring, to an observer-substitution condition replacing human researchers with an automated AI auditing system. Monitored conditions (Delta+24.9%, Delta+24.2%) and the automated AI monitoring condition (Delta+22.2%) produce higher TTR change than audience-framing conditions (Delta+17.7%), F(4, 94) = 2.79, p = .031. Message length shows a fully dissociated effect, F(4, 95) = 19.55, p < .001. A fifth condition -- replacing human with AI observers -- yields intermediate TTR adaptation, suggesting LLM behavior is sensitive to observer identity: human evaluation elicits stronger register formalization than automated AI surveillance. We discuss implications for AI governance, algorithmic auditing, and the repositioning of LLMs as contextually sensitive communicative actors.

  • 2 authors
·
May 13

Towards generalizable single-cell perturbation modeling via the Conditional Monge Gap

Learning the response of single-cells to various treatments offers great potential to enable targeted therapies. In this context, neural optimal transport (OT) has emerged as a principled methodological framework because it inherently accommodates the challenges of unpaired data induced by cell destruction during data acquisition. However, most existing OT approaches are incapable of conditioning on different treatment contexts (e.g., time, drug treatment, drug dosage, or cell type) and we still lack methods that unanimously show promising generalization performance to unseen treatments. Here, we propose the Conditional Monge Gap which learns OT maps conditionally on arbitrary covariates. We demonstrate its value in predicting single-cell perturbation responses conditional to one or multiple drugs, a drug dosage, or combinations thereof. We find that our conditional models achieve results comparable and sometimes even superior to the condition-specific state-of-the-art on scRNA-seq as well as multiplexed protein imaging data. Notably, by aggregating data across conditions we perform cross-task learning which unlocks remarkable generalization abilities to unseen drugs or drug dosages, widely outperforming other conditional models in capturing heterogeneity (i.e., higher moments) in the perturbed population. Finally, by scaling to hundreds of conditions and testing on unseen drugs, we narrow the gap between structure-based and effect-based drug representations, suggesting a promising path to the successful prediction of perturbation effects for unseen treatments.

  • 4 authors
·
Apr 11, 2025

Multi-Step Knowledge Interaction Analysis via Rank-2 Subspace Disentanglement

Natural Language Explanations (NLEs) describe how Large Language Models (LLMs) make decisions, drawing on both external Context Knowledge (CK) and Parametric Knowledge (PK) stored in model weights. Understanding their interaction is key to assessing the grounding of NLEs, yet it remains underexplored. Prior work has largely examined only single-step generation, typically the final answer, and has modelled PK and CK interaction only as a binary choice in a rank-1 subspace. This overlooks richer forms of interaction, such as complementary or supportive knowledge. We propose a novel rank-2 projection subspace that disentangles PK and CK contributions more accurately and use it for the first multi-step analysis of knowledge interactions across longer NLE sequences. Experiments on four QA datasets and three open-weight instruction-tuned LLMs show that diverse knowledge interactions are poorly represented in a rank-1 subspace but are effectively captured in our rank-2 formulation. Our multi-step analysis reveals that hallucinated NLEs align strongly with the PK direction, context-faithful ones balance PK and CK, and Chain-of-Thought prompting for NLEs shifts generated NLEs toward CK by reducing PK reliance. This work provides the first framework for systematic studies of multi-step knowledge interactions in LLMs through a richer rank-2 subspace disentanglement. Code and data: https://github.com/copenlu/pk-ck-knowledge-disentanglement.

  • 3 authors
·
Nov 3, 2025 1

Off-Target Effects of Response-Style Alignment in a Korean 27B Language Model

We post-train Qwen3.8-27B for Korean response style -- verbosity, list and markdown usage, discourse structure and register -- and measure two behaviours the objective never targets: abstention on ambiguous social questions in KoBBQ, where the benchmark-correct answer is UNKNOWN, and unprompted disclosure in securities guidance. Both move, and the changes are expressed primarily through the model's emission policy: how often it answers and how much it says. Matched target-form controls show that answer propensity depends on the training target, not the prompt set or recipe alone. Holding prompts, recipe, data volume and serving fixed and changing only the target text, three style seeds give positive answer-rate point estimates (mean +0.82 pp) and three neutral seeds negative ones (mean -1.53 pp); the observed seed ranges do not overlap and the means differ by 2.34 pp. A length-matched arm lies between them, and a fourth arm that stays short while preserving hedging is unstable across seeds, so which feature of the form is responsible is unresolved. For absolute stereotyped exposure the decomposition into an answer-propensity term and a conditional-composition term is an algebraic identity, not a finding; its empirical content is where the movement went. Across the trained checkpoints the changes are dominated by answer propensity while the composition term stays small, and because that term is evaluated on treatment-dependent answered subsets we do not read it as evidence about latent preference. Two measurement results follow. A between-arm contrast in conditional stereotyped share does not identify a change in conditional content preference when answer status is treatment-dependent. And agreement between two rule detectors for the same construct runs from 0.44 to 0.99 depending on which checkpoint produced the text -- observable without any reference labels.

  • 1 authors
·
Sep 9

Multimodal Learning Without Labeled Multimodal Data: Guarantees and Applications

In many machine learning systems that jointly learn from multiple modalities, a core research question is to understand the nature of multimodal interactions: the emergence of new task-relevant information during learning from both modalities that was not present in either alone. We study this challenge of interaction quantification in a semi-supervised setting with only labeled unimodal data and naturally co-occurring multimodal data (e.g., unlabeled images and captions, video and corresponding audio) but when labeling them is time-consuming. Using a precise information-theoretic definition of interactions, our key contributions are the derivations of lower and upper bounds to quantify the amount of multimodal interactions in this semi-supervised setting. We propose two lower bounds based on the amount of shared information between modalities and the disagreement between separately trained unimodal classifiers, and derive an upper bound through connections to approximate algorithms for min-entropy couplings. We validate these estimated bounds and show how they accurately track true interactions. Finally, two semi-supervised multimodal applications are explored based on these theoretical results: (1) analyzing the relationship between multimodal performance and estimated interactions, and (2) self-supervised learning that embraces disagreement between modalities beyond agreement as is typically done.

  • 9 authors
·
Jun 7, 2023

DRIFT: Disentangled Responsive-Invariant Flow Transport for Single-Cell Perturbation Prediction

Predicting cellular responses to perturbations is a central problem in cellular biology, with broad applications in systems biology and drug discovery. This task is challenging because cellular responses can be complex and cell-state dependent, intrinsic cell-to-cell variability can be confounded with perturbation effects, and destructive single-cell RNA sequencing precludes paired measurements of the same cell before and after treatment. Flow matching transports control cells to perturbed states flexibly, but acting on the full cell state can confound perturbation effects with pre-existing cell-to-cell variability. Disentangled approaches separate responsive from invariant components, but model perturbations through prescribed mechanisms, such as latent shifts or graph edits, limiting their flexibility. We address both limitations in a unified framework. A variational encoder disentangles each cell into an invariant block, capturing state unaffected by the perturbation, and a responsive block, capturing state it changes, through conditional priors and an information-theoretic invariance constraint. Conditional flow matching transports only the responsive block, conditioned on the perturbation and invariant state, yielding a flexible, data-driven model of perturbation effects without confounding pre-existing variability. Across several benchmarks, our method outperforms the strongest published method in settings involving combinatorial and unseen perturbation prediction.

  • 3 authors
·
Sep 27

One-hot Generalized Linear Model for Switching Brain State Discovery

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

  • 5 authors
·
Oct 23, 2023

Zero-Shot Goal-Directed Dialogue via RL on Imagined Conversations

Large language models (LLMs) have emerged as powerful and general solutions to many natural language tasks. However, many of the most important applications of language generation are interactive, where an agent has to talk to a person to reach a desired outcome. For example, a teacher might try to understand their student's current comprehension level to tailor their instruction accordingly, and a travel agent might ask questions of their customer to understand their preferences in order to recommend activities they might enjoy. LLMs trained with supervised fine-tuning or "single-step" RL, as with standard RLHF, might struggle which tasks that require such goal-directed behavior, since they are not trained to optimize for overall conversational outcomes after multiple turns of interaction. In this work, we explore a new method for adapting LLMs with RL for such goal-directed dialogue. Our key insight is that, though LLMs might not effectively solve goal-directed dialogue tasks out of the box, they can provide useful data for solving such tasks by simulating suboptimal but human-like behaviors. Given a textual description of a goal-directed dialogue task, we leverage LLMs to sample diverse synthetic rollouts of hypothetical in-domain human-human interactions. Our algorithm then utilizes this dataset with offline reinforcement learning to train an interactive conversational agent that can optimize goal-directed objectives over multiple turns. In effect, the LLM produces examples of possible interactions, and RL then processes these examples to learn to perform more optimal interactions. Empirically, we show that our proposed approach achieves state-of-the-art performance in various goal-directed dialogue tasks that include teaching and preference elicitation.

  • 3 authors
·
Nov 9, 2023