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Jul 30

Unlocking State-Tracking in Linear RNNs Through Negative Eigenvalues

Linear Recurrent Neural Networks (LRNNs) such as Mamba, RWKV, GLA, mLSTM, and DeltaNet have emerged as efficient alternatives to Transformers for long sequences. However, both Transformers and LRNNs struggle to perform state-tracking, which may impair performance in tasks such as code evaluation. In one forward pass, current architectures are unable to solve even parity, the simplest state-tracking task, which non-linear RNNs can handle effectively. Recently, Sarrof et al. (2024) demonstrated that the failure of LRNNs like Mamba to solve parity stems from restricting the value range of their diagonal state-transition matrices to [0, 1] and that incorporating negative values can resolve this issue. We extend this result to non-diagonal LRNNs such as DeltaNet. We prove that finite precision LRNNs with state-transition matrices having only positive eigenvalues cannot solve parity, while non-triangular matrices are needed to count modulo 3. Notably, we also prove that LRNNs can learn any regular language when their state-transition matrices are products of identity minus vector outer product matrices, each with eigenvalues in the range [-1, 1]. Our experiments confirm that extending the eigenvalue range of Mamba and DeltaNet to include negative values not only enables them to solve parity but consistently improves their performance on state-tracking tasks. We also show that state-tracking enabled LRNNs can be pretrained stably and efficiently at scale (1.3B parameters), achieving competitive performance on language modeling and showing promise on code and math tasks.

  • 6 authors
·
Nov 19, 2024

STree: Speculative Tree Decoding for Hybrid State-Space Models

Speculative decoding is a technique to leverage hardware concurrency to improve the efficiency of large-scale autoregressive (AR) Transformer models by enabling multiple steps of token generation in a single forward pass. State-space models (SSMs) are already more efficient than AR Transformers, since their state summarizes all past data with no need to cache or re-process tokens in the sliding window context. However, their state can also comprise thousands of tokens; so, speculative decoding has recently been extended to SSMs. Existing approaches, however, do not leverage the tree-based verification methods, since current SSMs lack the means to compute a token tree efficiently. We propose the first scalable algorithm to perform tree-based speculative decoding in state-space models (SSMs) and hybrid architectures of SSMs and Transformer layers. We exploit the structure of accumulated state transition matrices to facilitate tree-based speculative decoding with minimal overhead to current SSM state update implementations. With the algorithm, we describe a hardware-aware implementation that improves naive application of AR Transformer tree-based speculative decoding methods to SSMs. Furthermore, we outperform vanilla speculative decoding with SSMs even with a baseline drafting model and tree structure on three different benchmarks, opening up opportunities for further speed up with SSM and hybrid model inference. Code will be released upon paper acceptance.

  • 4 authors
·
May 20, 2025

DeltaProduct: Improving State-Tracking in Linear RNNs via Householder Products

Linear Recurrent Neural Networks (linear RNNs) have emerged as competitive alternatives to Transformers for sequence modeling, offering efficient training and linear-time inference. However, existing architectures face a fundamental trade-off between expressivity and efficiency, dictated by the structure of their state-transition matrices. Diagonal matrices, used in models such as Mamba, GLA, or mLSTM, yield fast runtime but have limited expressivity. To address this, recent architectures such as DeltaNet and RWKV-7 adopted a diagonal plus rank-1 structure, which allows simultaneous token and channel mixing, improving associative recall and, as recently shown, state-tracking when allowing negative eigenvalues in the state-transition matrices. Building on the interpretation of DeltaNet's recurrence as performing one step of online gradient descent per token on an associative recall loss, we introduce DeltaProduct, which instead takes multiple (n_h) steps per token. This naturally leads to diagonal plus rank-n_h state-transition matrices, formed as products of n_h generalized Householder transformations, providing a tunable mechanism to balance expressivity and efficiency. We provide a detailed theoretical characterization of the state-tracking capability of DeltaProduct in finite precision, showing how it improves by increasing n_h. Our extensive experiments demonstrate that DeltaProduct outperforms DeltaNet in both state-tracking and language modeling, while also showing significantly improved length extrapolation capabilities.

  • 6 authors
·
Feb 14, 2025

What if LLMs Have Different World Views: Simulating Alien Civilizations with LLM-based Agents

In this study, we introduce "CosmoAgent," an innovative artificial intelligence framework utilizing Large Language Models (LLMs) to simulate complex interactions between human and extraterrestrial civilizations, with a special emphasis on Stephen Hawking's cautionary advice about not sending radio signals haphazardly into the universe. The goal is to assess the feasibility of peaceful coexistence while considering potential risks that could threaten well-intentioned civilizations. Employing mathematical models and state transition matrices, our approach quantitatively evaluates the development trajectories of civilizations, offering insights into future decision-making at critical points of growth and saturation. Furthermore, the paper acknowledges the vast diversity in potential living conditions across the universe, which could foster unique cosmologies, ethical codes, and worldviews among various civilizations. Recognizing the Earth-centric bias inherent in current LLM designs, we propose the novel concept of using LLMs with diverse ethical paradigms and simulating interactions between entities with distinct moral principles. This innovative research provides a new way to understand complex inter-civilizational dynamics, expanding our perspective while pioneering novel strategies for conflict resolution, crucial for preventing interstellar conflicts. We have also released the code and datasets to enable further academic investigation into this interesting area of research. The code is available at https://github.com/agiresearch/AlienAgent.

  • 9 authors
·
Feb 20, 2024

DLRMamba: Distilling Low-Rank Mamba for Edge Multispectral Fusion Object Detection

Multispectral fusion object detection is a critical task for edge-based maritime surveillance and remote sensing, demanding both high inference efficiency and robust feature representation for high-resolution inputs. However, current State Space Models (SSMs) like Mamba suffer from significant parameter redundancy in their standard 2D Selective Scan (SS2D) blocks, which hinders deployment on resource-constrained hardware and leads to the loss of fine-grained structural information during conventional compression. To address these challenges, we propose the Low-Rank Two-Dimensional Selective Structured State Space Model (Low-Rank SS2D), which reformulates state transitions via matrix factorization to exploit intrinsic feature sparsity. Furthermore, we introduce a Structure-Aware Distillation strategy that aligns the internal latent state dynamics of the student with a full-rank teacher model to compensate for potential representation degradation. This approach substantially reduces computational complexity and memory footprint while preserving the high-fidelity spatial modeling required for object recognition. Extensive experiments on five benchmark datasets and real-world edge platforms, such as Raspberry Pi 5, demonstrate that our method achieves a superior efficiency-accuracy trade-off, significantly outperforming existing lightweight architectures in practical deployment scenarios.

  • 4 authors
·
Mar 5

M$^2$RNN: Non-Linear RNNs with Matrix-Valued States for Scalable Language Modeling

Transformers are highly parallel but are limited to computations in the TC^0 complexity class, excluding tasks such as entity tracking and code execution that provably require greater expressive power. Motivated by this limitation, we revisit non-linear Recurrent Neural Networks (RNNs) for language modeling and introduce Matrix-to-Matrix RNN (M^2RNN): an architecture with matrix-valued hidden states and expressive non-linear state transitions. We demonstrate that the language modeling performance of non-linear RNNs is limited by their state size. We also demonstrate how the state size expansion mechanism enables efficient use of tensor cores. Empirically, M^2RNN achieves perfect state tracking generalization at sequence lengths not seen during training. These benefits also translate to large-scale language modeling. In hybrid settings that interleave recurrent layers with attention, Hybrid M^2RNN outperforms equivalent Gated DeltaNet hybrids by 0.4-0.5 perplexity points on a 7B MoE model, while using 3times smaller state sizes for the recurrent layers. Notably, replacing even a single recurrent layer with M^2RNN in an existing hybrid architecture yields accuracy gains comparable to Hybrid M^2RNN with minimal impact on training throughput. Further, the Hybrid Gated DeltaNet models with a single M^2RNN layer also achieve superior long-context generalization, outperforming state-of-the-art hybrid linear attention architectures by up to 8 points on LongBench. Together, these results establish non-linear RNN layers as a compelling building block for efficient and scalable language models.

  • 5 authors
·
Mar 14

On the Parameterization and Initialization of Diagonal State Space Models

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

  • 4 authors
·
Jun 23, 2022

How to Train Your HiPPO: State Space Models with Generalized Orthogonal Basis Projections

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

  • 5 authors
·
Jun 23, 2022

Robustifying State-space Models for Long Sequences via Approximate Diagonalization

State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 layer poses challenges; and, in an effort to address these challenges, models such as S4D and S5 have considered a purely diagonal structure. This choice simplifies the implementation, improves computational efficiency, and allows channel communication. However, diagonalizing the HiPPO framework is itself an ill-posed problem. In this paper, we propose a general solution for this and related ill-posed diagonalization problems in machine learning. We introduce a generic, backward-stable "perturb-then-diagonalize" (PTD) methodology, which is based on the pseudospectral theory of non-normal operators, and which may be interpreted as the approximate diagonalization of the non-normal matrices defining SSMs. Based on this, we introduce the S4-PTD and S5-PTD models. Through theoretical analysis of the transfer functions of different initialization schemes, we demonstrate that the S4-PTD/S5-PTD initialization strongly converges to the HiPPO framework, while the S4D/S5 initialization only achieves weak convergences. As a result, our new models show resilience to Fourier-mode noise-perturbed inputs, a crucial property not achieved by the S4D/S5 models. In addition to improved robustness, our S5-PTD model averages 87.6% accuracy on the Long-Range Arena benchmark, demonstrating that the PTD methodology helps to improve the accuracy of deep learning models.

  • 5 authors
·
Oct 2, 2023

Thinking in Different Spaces: Domain-Specific Latent Geometry Survives Cross-Architecture Translation

We investigate whether independently trained language models converge to geometrically compatible latent representations, and whether this compatibility can be exploited to correct model behavior at inference time without any weight updates. We learn a linear projection matrix that maps activation vectors from a large teacher model into the coordinate system of a smaller student model, then intervene on the student's residual stream during generation by substituting its internal state with the translated teacher representation. Across a fully crossed experimental matrix of 20 heterogeneous teacher-student pairings spanning mixture-of-experts, dense, code-specialized, and synthetically trained architectures, the Ridge projection consistently achieves R^2 = 0.50 on verbal reasoning and R^2 = 0.40 on mathematical reasoning, collapsing to R^2 = -0.22 under permutation control and R^2 = 0.01 under L_1 regularization. Behavioral correction rates range from 14.0% to 50.0% on TruthfulQA (mean 25.2%) and from 8.5% to 43.3% on GSM8K arithmetic reasoning (mean 25.5%), demonstrating that the method generalizes across fundamentally different reasoning domains. We report a near-zero correlation between geometric alignment quality and behavioral correction rate (r = -0.07), revealing a dissociation between representation space fidelity and output space impact. Intervention strength is architecture-specific: student models exhibit characteristic sensitivity profiles that invert across domains, with the most steerable verbal student becoming the least steerable mathematical student. Finally, a double dissociation experiment conducted across all 20 model pairings confirms without exception that projection matrices collapse catastrophically when transferred across reasoning domains (mean R^2 = -3.83 in both transfer directions), establishing domain-specific subspace geometry as a universal property of LMs.

  • 3 authors
·
Mar 19

PAC learning PDFA from data streams

This is an extended version of our publication Learning state machines from data streams: A generic strategy and an improved heuristic, International Conference on Grammatical Inference (ICGI) 2023, Rabat, Morocco. It has been extended with a formal proof on PAC-bounds, and the discussion and analysis of a similar approach has been moved from the appendix and now has a full dedicated section. State machine models are models that simulate the behavior of discrete event systems, capable of representing systems such as software systems, network interactions, and control systems, and have been researched extensively. The nature of most learning algorithms however is the assumption that all data be available at the beginning of the algorithm, and little research has been done in learning state machines from streaming data. In this paper, we want to close this gap further by presenting a generic method for learning state machines from data streams, as well as a merge heuristic that uses sketches to account for incomplete prefix trees. We implement our approach in an open-source state merging library and compare it with existing methods. We show the effectiveness of our approach with respect to run-time, memory consumption, and quality of results on a well known open dataset. Additionally, we provide a formal analysis of our algorithm, showing that it is capable of learning within the PAC framework, and show a theoretical improvement to increase run-time, without sacrificing correctness of the algorithm in larger sample sizes.

  • 2 authors
·
Apr 11

Looped SSMs: Depth-Recurrence and Input Reshaping for Time Series Classification

State Space Models (SSMs) are inherently recurrent along the sequence dimension, yet depth-recurrence - reusing the same block repeatedly across layers, as recently applied in looped transformers - has not been explored in this model family. We show that a looped SSM with k parameters iterated L times consistently closely matches or outperforms a standard SSM with k cdot L independent parameters across four architectures (LRU, S5, LinOSS, LrcSSM) and six time series classification benchmarks, despite operating within a strictly smaller hypothesis space, as we formally establish. Since the larger model contains the looped model as a special case, this dominance cannot be explained by expressivity and instead points to parameter sharing across depth as a beneficial inductive bias that simplifies optimization. These results demonstrate that depth-recurrence is orthogonal to sequence-recurrence and independently beneficial. We further show that input reshaping is an equally neglected design axis: concatenating timesteps for low-dimensional inputs, or flattening and rechunking the joint feature-time dimension for high-dimensional ones, yields accuracy gains of 1-6% across all models, confirmed over 5 random seeds. Both techniques provide standalone improvements that compound when combined, suggesting that depth and input reshaping are two independent and underexplored design axes for SSMs on time series.

  • 4 authors
·
May 14

Quamba2: A Robust and Scalable Post-training Quantization Framework for Selective State Space Models

State Space Models (SSMs) are emerging as a compelling alternative to Transformers because of their consistent memory usage and high performance. Despite this, scaling up SSMs on cloud services or limited-resource devices is challenging due to their storage requirements and computational power. To overcome this, quantizing SSMs with low bit-width data formats can reduce model size and benefit from hardware acceleration. As SSMs are prone to quantization-induced errors, recent efforts have focused on optimizing a particular model or bit-width for efficiency without sacrificing performance. However, distinct bit-width configurations are essential for different scenarios, like W4A8 for boosting large-batch decoding speed, and W4A16 for enhancing generation speed in short prompt applications for a single user. To this end, we present Quamba2, compatible with W8A8, W4A8, and W4A16 for both Mamba1 and Mamba2 backbones, addressing the growing demand for SSM deployment on various platforms. Based on the channel order preserving and activation persistence of SSMs, we propose an offline approach to quantize inputs of a linear recurrence in 8-bit by sorting and clustering for input x, combined with a per-state-group quantization for input-dependent parameters B and C. To ensure compute-invariance in the SSM output, we rearrange weights offline according to the clustering sequence. The experiments show that Quamba2-8B outperforms several state-of-the-art SSM quantization methods and delivers 1.3times and 3times speed-ups in the pre-filling and generation stages, respectively, while offering 4times memory reduction with only a 1.6% average accuracy drop. The evaluation on MMLU shows the generalizability and robustness of our framework. The code and quantized models will be released at: https://github.com/enyac-group/Quamba.

A Survey on Visual Mamba

State space models (SSMs) with selection mechanisms and hardware-aware architectures, namely Mamba, have recently demonstrated significant promise in long-sequence modeling. Since the self-attention mechanism in transformers has quadratic complexity with image size and increasing computational demands, the researchers are now exploring how to adapt Mamba for computer vision tasks. This paper is the first comprehensive survey aiming to provide an in-depth analysis of Mamba models in the field of computer vision. It begins by exploring the foundational concepts contributing to Mamba's success, including the state space model framework, selection mechanisms, and hardware-aware design. Next, we review these vision mamba models by categorizing them into foundational ones and enhancing them with techniques such as convolution, recurrence, and attention to improve their sophistication. We further delve into the widespread applications of Mamba in vision tasks, which include their use as a backbone in various levels of vision processing. This encompasses general visual tasks, Medical visual tasks (e.g., 2D / 3D segmentation, classification, and image registration, etc.), and Remote Sensing visual tasks. We specially introduce general visual tasks from two levels: High/Mid-level vision (e.g., Object detection, Segmentation, Video classification, etc.) and Low-level vision (e.g., Image super-resolution, Image restoration, Visual generation, etc.). We hope this endeavor will spark additional interest within the community to address current challenges and further apply Mamba models in computer vision.

  • 6 authors
·
Apr 24, 2024

One Life to Learn: Inferring Symbolic World Models for Stochastic Environments from Unguided Exploration

Symbolic world modeling requires inferring and representing an environment's transitional dynamics as an executable program. Prior work has focused on largely deterministic environments with abundant interaction data, simple mechanics, and human guidance. We address a more realistic and challenging setting, learning in a complex, stochastic environment where the agent has only "one life" to explore a hostile environment without human guidance. We introduce OneLife, a framework that models world dynamics through conditionally-activated programmatic laws within a probabilistic programming framework. Each law operates through a precondition-effect structure, activating in relevant world states. This creates a dynamic computation graph that routes inference and optimization only through relevant laws, avoiding scaling challenges when all laws contribute to predictions about a complex, hierarchical state, and enabling the learning of stochastic dynamics even with sparse rule activation. To evaluate our approach under these demanding constraints, we introduce a new evaluation protocol that measures (a) state ranking, the ability to distinguish plausible future states from implausible ones, and (b) state fidelity, the ability to generate future states that closely resemble reality. We develop and evaluate our framework on Crafter-OO, our reimplementation of the Crafter environment that exposes a structured, object-oriented symbolic state and a pure transition function that operates on that state alone. OneLife can successfully learn key environment dynamics from minimal, unguided interaction, outperforming a strong baseline on 16 out of 23 scenarios tested. We also test OneLife's planning ability, with simulated rollouts successfully identifying superior strategies. Our work establishes a foundation for autonomously constructing programmatic world models of unknown, complex environments.

  • 5 authors
·
Oct 13, 2025 2

Demystifying the Token Dynamics of Deep Selective State Space Models

Selective state space models (SSM), such as Mamba, have gained prominence for their effectiveness in modeling sequential data. Despite their outstanding empirical performance, a comprehensive theoretical understanding of deep selective SSM remains elusive, hindering their further development and adoption for applications that need high fidelity. In this paper, we investigate the dynamical properties of tokens in a pre-trained Mamba model. In particular, we derive the dynamical system governing the continuous-time limit of the Mamba model and characterize the asymptotic behavior of its solutions. In the one-dimensional case, we prove that only one of the following two scenarios happens: either all tokens converge to zero, or all tokens diverge to infinity. We provide criteria based on model parameters to determine when each scenario occurs. For the convergent scenario, we empirically verify that this scenario negatively impacts the model's performance. For the divergent scenario, we prove that different tokens will diverge to infinity at different rates, thereby contributing unequally to the updates during model training. Based on these investigations, we propose two refinements for the model: excluding the convergent scenario and reordering tokens based on their importance scores, both aimed at improving practical performance. Our experimental results validate these refinements, offering insights into enhancing Mamba's effectiveness in real-world applications.

  • 4 authors
·
Oct 4, 2024

Text-conditioned State Space Model For Domain-generalized Change Detection Visual Question Answering

The Earth's surface is constantly changing, and detecting these changes provides valuable insights that benefit various aspects of human society. While traditional change detection methods have been employed to detect changes from bi-temporal images, these approaches typically require expert knowledge for accurate interpretation. To enable broader and more flexible access to change information by non-expert users, the task of Change Detection Visual Question Answering (CDVQA) has been introduced. However, existing CDVQA methods have been developed under the assumption that training and testing datasets share similar distributions. This assumption does not hold in real-world applications, where domain shifts often occur. In this paper, the CDVQA task is revisited with a focus on addressing domain shift. To this end, a new multi-modal and multi-domain dataset, BrightVQA, is introduced to facilitate domain generalization research in CDVQA. Furthermore, a novel state space model, termed Text-Conditioned State Space Model (TCSSM), is proposed. The TCSSM framework is designed to leverage both bi-temporal imagery and geo-disaster-related textual information in an unified manner to extract domain-invariant features across domains. Input-dependent parameters existing in TCSSM are dynamically predicted by using both bi-temporal images and geo-disaster-related description, thereby facilitating the alignment between bi-temporal visual data and the associated textual descriptions. Extensive experiments are conducted to evaluate the proposed method against state-of-the-art models, and superior performance is consistently demonstrated. The code and dataset will be made publicly available upon acceptance at https://github.com/Elman295/TCSSM.

  • 2 authors
·
Aug 12, 2025 2

Transition Matching: Scalable and Flexible Generative Modeling

Diffusion and flow matching models have significantly advanced media generation, yet their design space is well-explored, somewhat limiting further improvements. Concurrently, autoregressive (AR) models, particularly those generating continuous tokens, have emerged as a promising direction for unifying text and media generation. This paper introduces Transition Matching (TM), a novel discrete-time, continuous-state generative paradigm that unifies and advances both diffusion/flow models and continuous AR generation. TM decomposes complex generation tasks into simpler Markov transitions, allowing for expressive non-deterministic probability transition kernels and arbitrary non-continuous supervision processes, thereby unlocking new flexible design avenues. We explore these choices through three TM variants: (i) Difference Transition Matching (DTM), which generalizes flow matching to discrete-time by directly learning transition probabilities, yielding state-of-the-art image quality and text adherence as well as improved sampling efficiency. (ii) Autoregressive Transition Matching (ARTM) and (iii) Full History Transition Matching (FHTM) are partially and fully causal models, respectively, that generalize continuous AR methods. They achieve continuous causal AR generation quality comparable to non-causal approaches and potentially enable seamless integration with existing AR text generation techniques. Notably, FHTM is the first fully causal model to match or surpass the performance of flow-based methods on text-to-image task in continuous domains. We demonstrate these contributions through a rigorous large-scale comparison of TM variants and relevant baselines, maintaining a fixed architecture, training data, and hyperparameters.

  • 4 authors
·
Jun 30, 2025

Accurate generation of chemical reaction transition states by conditional flow matching

Transition state (TS) structures define the critical geometries and energy barriers underlying chemical reactivity, yet their fleeting nature renders them experimentally elusive and drives the reliance on costly, high-throughput density functional theory (DFT) calculations. Here, we introduce TS-GEN, a conditional flow-matching generative model that maps samples from a simple Gaussian prior directly to transition-state saddle-point geometries in a single, deterministic pass. By embedding both reactant and product conformations as conditioning information, TS-GEN learns to transport latent noise to true TS structures via an optimal-transport path, effectively replacing the iterative optimization common in nudged-elastic band or string-method algorithms. TS-GEN delivers unprecedented accuracy, achieving a root-mean-square deviation of 0.004 mathring{A} (vs. 0.103 mathring{A} for prior state-of-the-art) and a mean barrier-height error of 1.019 {rm kcal/mol} (vs. 2.864 {rm kcal/mol}), while requiring only 0.06 {rm s} GPU time per inference. Over 87% of generated TSs meet chemical-accuracy criteria (<1.58 {rm kcal/mol} error), substantially outpacing existing methods. TS-GEN also exhibits strong transferability to out-of-distribution reactions from a larger database. By uniting sub-angstrom precision, sub-second speed, and broad applicability, TS-GEN will be highly useful for high-throughput exploration of complex reaction networks, paving the way to the exploration of novel chemical reaction mechanisms.

  • 3 authors
·
Jul 14, 2025

Enhanced Climbing Image Nudged Elastic Band method with Hessian Eigenmode Alignment

Accurate determination of transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both initial and final states are specified, such as the climbing image nudged elastic band (CI-NEB), identify the minimum energy path between the two and thereby the saddle point on the energy surface that is relevant for the given transition, thus providing an estimate of the transition state within the harmonic approximation of transition state theory. Such calculations can, however, incur high computational costs and may suffer stagnation on exceptionally flat or rough energy surfaces. Conversely, methods that only require specification of an initial set of atomic coordinates, such as the minimum mode following (MMF) method, offer efficiency but can converge on saddle points that are not relevant for transition of interest. Here, we present an adaptive hybrid algorithm that integrates the CI-NEB with the MMF method so as to get faster convergence to the relevant saddle point. The method is benchmarked for the Baker-Chan (BC) saddle point test set using the PET-MAD machine-learned potential as well as 59 transitions of a heptamer island on Pt(111) from the OptBench benchmark set. A Bayesian analysis of the performance shows a reduction in energy and force calculations of 57% [95% CrI: -64%, -50%] relative to CI-NEB for the BC set, while a 31% mean reduction is found for the transitions of the heptamer island. These results establish this hybrid method as a highly effective tool for high-throughput automated chemical discovery of atomic rearrangements.

  • 3 authors
·
Apr 6 1

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

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

  • 4 authors
·
May 1, 2021

Cost-effectiveness analysis for therapy sequence in advanced cancer: A microsimulation approach with application to metastatic prostate cancer

Purpose. Patients with advanced cancer may undergo multiple lines of treatment, switching therapies as their disease progresses. Motivated by a study of metastatic prostate cancer, we develop a microsimulation framework to study therapy sequence. Methods. We propose a discrete-time state transition model to study two lines of anti-cancer therapy. Based on digitized published progression-free survival (PFS) and overall survival (OS) curves, we infer event types (progression or death), and estimate transition probabilities using cumulative incidence functions with competing risks. Our model incorporates within-patient dependence over time, such that response to first-line therapy informs subsequent event probabilities. Parameters governing the degree of within-patient dependence can be used to calibrate the model-based results to those of a target trial. We demonstrate these methods in a study of two therapy sequences for metastatic prostate cancer, where Docetaxel (DCT) and Abiraterone Acetate (AA) are both appropriate for use in either first or second line treatment. We assess costs, Quality-Adjusted Life Years (QALYs) and Incremental Cost Effectiveness Ratio (ICER) for two treatment strategies: DCT then AA vs AA then DCT. Results. Using digitized survival curves from relevant clinical trials, we identified 8.6-13.9% of PFS times that should be categorized as deaths, allowing for estimation of cumulative incidence functions. Models assuming within-patient independence overestimated OS time, corrected with our calibration approach. Correction resulted in meaningful changes in the difference in QALYs between treatment strategies (0.07 vs 0.15) and the ICER (-\76,836/QALY vs -21,030/QALY). Conclusions. Microsimulation models can be successfully used to study cost-effectiveness of therapy sequences, taking care to account correctly for within-patient dependence.

  • 5 authors
·
Oct 10, 2022

XAMBA: Enabling Efficient State Space Models on Resource-Constrained Neural Processing Units

State-Space Models (SSMs) have emerged as efficient alternatives to transformers for sequential data tasks, offering linear or near-linear scalability with sequence length, making them ideal for long-sequence applications in NLP, vision, and edge AI, including real-time transcription, translation, and contextual search. These applications require lightweight, high-performance models for deployment on resource-constrained devices like laptops and PCs. Designing specialized accelerators for every emerging neural network is costly and impractical; instead, optimizing models for existing NPUs in AI PCs provides a scalable solution. To this end, we propose XAMBA, the first framework to enable and optimize SSMs on commercial off-the-shelf (COTS) state-of-the-art (SOTA) NPUs. XAMBA follows a three-step methodology: (1) enabling SSMs on NPUs, (2) optimizing performance to meet KPI requirements, and (3) trading accuracy for additional performance gains. After enabling SSMs on NPUs, XAMBA mitigates key bottlenecks using CumBA and ReduBA, replacing sequential CumSum and ReduceSum operations with matrix-based computations, significantly improving execution speed and memory efficiency. Additionally, ActiBA enhances performance by approximating expensive activation functions (e.g., Swish, Softplus) using piecewise linear mappings, reducing latency with minimal accuracy loss. Evaluations on an Intel Core Ultra Series 2 AI PC show that XAMBA achieves up to 4.8X speed-up over the baseline. Our implementation is available at https://github.com/arghadippurdue/XAMBA.

  • 6 authors
·
Feb 10, 2025

State-Regularized Recurrent Neural Networks to Extract Automata and Explain Predictions

Recurrent neural networks are a widely used class of neural architectures. They have, however, two shortcomings. First, they are often treated as black-box models and as such it is difficult to understand what exactly they learn as well as how they arrive at a particular prediction. Second, they tend to work poorly on sequences requiring long-term memorization, despite having this capacity in principle. We aim to address both shortcomings with a class of recurrent networks that use a stochastic state transition mechanism between cell applications. This mechanism, which we term state-regularization, makes RNNs transition between a finite set of learnable states. We evaluate state-regularized RNNs on (1) regular languages for the purpose of automata extraction; (2) non-regular languages such as balanced parentheses and palindromes where external memory is required; and (3) real-word sequence learning tasks for sentiment analysis, visual object recognition and text categorisation. We show that state-regularization (a) simplifies the extraction of finite state automata that display an RNN's state transition dynamic; (b) forces RNNs to operate more like automata with external memory and less like finite state machines, which potentiality leads to a more structural memory; (c) leads to better interpretability and explainability of RNNs by leveraging the probabilistic finite state transition mechanism over time steps.

  • 3 authors
·
Dec 9, 2022

Can Image Models Imagine Time? ImageTime: A Novel Benchmark for Probing Visual World Modeling Through Spatiotemporal Consistency

Image generation models now produce high-quality static images, yet their ability to represent how a visual world changes over time remains poorly understood. Practical workflows such as storyboarding, step-by-step illustration, reference-guided editing, and video previsualization require models to preserve identities, objects, spatial relations, and causal order across multiple visual states. Existing evaluations largely measure single-image correctness, compositional alignment, or video quality, leaving open whether an image model can coherently imagine a temporally ordered process. We introduce ImageTime, a diagnostic benchmark that uses spatiotemporal consistency as a behavioral probe of visual world modeling in image generation. Given an action instruction, and optionally a reference image specifying the initial state, a model must generate one image containing four ordered key states: initial state, action onset, transition state, and final state. This four-keyframe protocol is more temporally demanding than single-image generation while avoiding the confounds of dense video dynamics. ImageTime organizes tasks with a progressive capability hierarchy and decomposes each scenario into stage-wise state predicates, cross-frame temporal constraints, and forbidden causal violations. GPT-5.5 scores all generated images under a structured VLM-as-judge protocol, producing interpretable capability scores, diagnostic subscores, and failure labels. Through multi-family benchmarking, ImageTime reveals where current image generation systems succeed, fail, and drift when asked to maintain coherent visual world states over time.

  • 2 authors
·
Jun 9

A Topological and Operator Algebraic Framework for Asynchronous Lattice Dynamical Systems

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

  • 1 authors
·
May 14, 2025

Gather-Scatter Mamba: Accelerating Propagation with Efficient State Space Model

State Space Models (SSMs)-most notably RNNs-have historically played a central role in sequential modeling. Although attention mechanisms such as Transformers have since dominated due to their ability to model global context, their quadratic complexity and limited scalability make them less suited for long sequences. Video super-resolution (VSR) methods have traditionally relied on recurrent architectures to propagate features across frames. However, such approaches suffer from well-known issues including vanishing gradients, lack of parallelism, and slow inference speed. Recent advances in selective SSMs like Mamba offer a compelling alternative: by enabling input-dependent state transitions with linear-time complexity, Mamba mitigates these issues while maintaining strong long-range modeling capabilities. Despite this potential, Mamba alone struggles to capture fine-grained spatial dependencies due to its causal nature and lack of explicit context aggregation. To address this, we propose a hybrid architecture that combines shifted window self-attention for spatial context aggregation with Mamba-based selective scanning for efficient temporal propagation. Furthermore, we introduce Gather-Scatter Mamba (GSM), an alignment-aware mechanism that warps features toward a center anchor frame within the temporal window before Mamba propagation and scatters them back afterward, effectively reducing occlusion artifacts and ensuring effective redistribution of aggregated information across all frames. The official implementation is provided at: https://github.com/Ko-Lani/GSMamba.

  • 8 authors
·
Oct 1, 2025

Ego-InBetween: Generating Object State Transitions in Ego-Centric Videos

Understanding physical transformation processes is crucial for both human cognition and artificial intelligence systems, particularly from an egocentric perspective, which serves as a key bridge between humans and machines in action modeling. We define this modeling process as Egocentric Instructed Visual State Transition (EIVST), which involves generating intermediate frames that depict object transformations between initial and target states under a brief action instruction. EIVST poses two challenges for current generative models: (1) understanding the visual scenes of the initial and target states and reasoning about transformation steps from an egocentric view, and (2) generating a consistent intermediate transition that follows the given instruction while preserving object appearance across the two visual states. To address these challenges, we propose the EgoIn framework. It first infers the multi-step transition process between two given states using TransitionVLM, fine-tuned on our curated dataset to better adapt to this task and reduce hallucinated information. It then generates a sequence of frames based on transition conditions produced by the proposed Transition Conditioning module. Additionally, we introduce Object-aware Auxiliary Supervision to preserve consistent object appearance throughout the transition. Extensive experiments on human-object and robot-object interaction datasets demonstrate EgoIn's superior performance in generating semantically meaningful and visually coherent transformation sequences.

  • 10 authors
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Apr 19

Chimera: Effectively Modeling Multivariate Time Series with 2-Dimensional State Space Models

Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera that uses two input-dependent 2-D SSM heads with different discretization processes to learn long-term progression and seasonal patterns. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. We further present and discuss 2-dimensional Mamba and Mamba-2 as the spacial cases of our 2D SSM. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.

  • 3 authors
·
Jun 6, 2024 1

CSFMamba: Cross State Fusion Mamba Operator for Multimodal Remote Sensing Image Classification

Multimodal fusion has made great progress in the field of remote sensing image classification due to its ability to exploit the complementary spatial-spectral information. Deep learning methods such as CNN and Transformer have been widely used in these domains. State Space Models recently highlighted that prior methods suffer from quadratic computational complexity. As a result, modeling longer-range dependencies of spatial-spectral features imposes an overwhelming burden on the network. Mamba solves this problem by incorporating time-varying parameters into ordinary SSM and performing hardware optimization, but it cannot perform feature fusion directly. In order to make full use of Mamba's low computational burden and explore the potential of internal structure in multimodal feature fusion, we propose Cross State Fusion Mamba (CSFMamba) Network. Specifically, we first design the preprocessing module of remote sensing image information for the needs of Mamba structure, and combine it with CNN to extract multi-layer features. Secondly, a cross-state module based on Mamba operator is creatively designed to fully fuse the feature of the two modalities. The advantages of Mamba and CNN are combined by designing a more powerful backbone. We capture the fusion relationship between HSI and LiDAR modalities with stronger full-image understanding. The experimental results on two datasets of MUUFL and Houston2018 show that the proposed method outperforms the experimental results of Transformer under the premise of reducing the network training burden.

  • 3 authors
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Aug 30, 2025

EfficientViM: Efficient Vision Mamba with Hidden State Mixer based State Space Duality

For the deployment of neural networks in resource-constrained environments, prior works have built lightweight architectures with convolution and attention for capturing local and global dependencies, respectively. Recently, the state space model has emerged as an effective global token interaction with its favorable linear computational cost in the number of tokens. Yet, efficient vision backbones built with SSM have been explored less. In this paper, we introduce Efficient Vision Mamba (EfficientViM), a novel architecture built on hidden state mixer-based state space duality (HSM-SSD) that efficiently captures global dependencies with further reduced computational cost. In the HSM-SSD layer, we redesign the previous SSD layer to enable the channel mixing operation within hidden states. Additionally, we propose multi-stage hidden state fusion to further reinforce the representation power of hidden states, and provide the design alleviating the bottleneck caused by the memory-bound operations. As a result, the EfficientViM family achieves a new state-of-the-art speed-accuracy trade-off on ImageNet-1k, offering up to a 0.7% performance improvement over the second-best model SHViT with faster speed. Further, we observe significant improvements in throughput and accuracy compared to prior works, when scaling images or employing distillation training. Code is available at https://github.com/mlvlab/EfficientViM.

  • 3 authors
·
Nov 21, 2024 2

What's the Magic Word? A Control Theory of LLM Prompting

Prompt engineering is crucial for deploying LLMs but is poorly understood mathematically. We formalize LLM systems as a class of discrete stochastic dynamical systems to explore prompt engineering through the lens of control theory. We investigate the reachable set of output token sequences R_y(mathbf x_0) for which there exists a control input sequence mathbf u for each mathbf y in R_y(mathbf x_0) that steers the LLM to output mathbf y from initial state sequence mathbf x_0. We offer analytic analysis on the limitations on the controllability of self-attention in terms of reachable set, where we prove an upper bound on the reachable set of outputs R_y(mathbf x_0) as a function of the singular values of the parameter matrices. We present complementary empirical analysis on the controllability of a panel of LLMs, including Falcon-7b, Llama-7b, and Falcon-40b. Our results demonstrate a lower bound on the reachable set of outputs R_y(mathbf x_0) w.r.t. initial state sequences mathbf x_0 sampled from the Wikitext dataset. We find that the correct next Wikitext token following sequence mathbf x_0 is reachable over 97% of the time with prompts of kleq 10 tokens. We also establish that the top 75 most likely next tokens, as estimated by the LLM itself, are reachable at least 85% of the time with prompts of kleq 10 tokens. Intriguingly, short prompt sequences can dramatically alter the likelihood of specific outputs, even making the least likely tokens become the most likely ones. This control-centric analysis of LLMs demonstrates the significant and poorly understood role of input sequences in steering output probabilities, offering a foundational perspective for enhancing language model system capabilities.

  • 4 authors
·
Oct 2, 2023

AutoWebWorld: Synthesizing Infinite Verifiable Web Environments via Finite State Machines

The performance of autonomous Web GUI agents heavily relies on the quality and quantity of their training data. However, a fundamental bottleneck persists: collecting interaction trajectories from real-world websites is expensive and difficult to verify. The underlying state transitions are hidden, leading to reliance on inconsistent and costly external verifiers to evaluate step-level correctness. To address this, we propose AutoWebWorld, a novel framework for synthesizing controllable and verifiable web environments by modeling them as Finite State Machines (FSMs) and use coding agents to translate FSMs into interactive websites. Unlike real websites, where state transitions are implicit, AutoWebWorld explicitly defines all states, actions, and transition rules. This enables programmatic verification: action correctness is checked against predefined rules, and task success is confirmed by reaching a goal state in the FSM graph. AutoWebWorld enables a fully automated search-and-verify pipeline, generating over 11,663 verified trajectories from 29 diverse web environments at only $0.04 per trajectory. Training on this synthetic data significantly boosts real-world performance. Our 7B Web GUI agent outperforms all baselines within 15 steps on WebVoyager. Furthermore, we observe a clear scaling law: as the synthetic data volume increases, performance on WebVoyager and Online-Mind2Web consistently improves.

Foundation Inference Models for Markov Jump Processes

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zero-shot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets.

  • 5 authors
·
Jun 10, 2024

StateSMix: Online Lossless Compression via Mamba State Space Models and Sparse N-gram Context Mixing

We present StateSMix, a fully self-contained lossless compressor that couples an online-trained Mamba-style State Space Model (SSM) with sparse n-gram context mixing and arithmetic coding. The model is initialised from scratch and trained token-by-token on the file being compressed, requiring no pre-trained weights, no GPU, and no external dependencies. The SSM (DM=32, NL=2, approximately 120K active parameters per file) provides a continuously-updated probability estimate over BPE tokens, while nine sparse n-gram hash tables (bigram through 32-gram, 16M slots each) add exact local and long-range pattern memorisation via a softmax-invariant logit-bias mechanism that updates only non-zero-count tokens. An entropy-adaptive scaling mechanism modulates the n-gram contribution based on the SSM's predictive confidence, preventing over-correction when the neural model is already well-calibrated. On the standard enwik8 benchmark, StateSMix achieves 2.123 bpb on 1 MB, 2.149 bpb on 3 MB, and 2.162 bpb on 10 MB, beating xz -9e (LZMA2) by 8.7%, 5.4%, and 0.7% respectively. Ablation experiments establish the SSM as the dominant compression engine: it alone accounts for a 46.6% size reduction over a frequency-count baseline and beats xz without any n-gram component, while n-gram tables provide a complementary 4.1% gain through exact context memorisation. OpenMP parallelisation of the training loop yields 1.9x speedup on 4 cores. The system is implemented in pure C with AVX2 SIMD and processes approximately 2,000 tokens per second on commodity x86-64 hardware.

  • 1 authors
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Apr 4 2

Self-Revising Discovery Systems for Science: A Categorical Framework for Agentic Artificial Intelligence

Scientific discovery is not only answer generation but revision of the representational regime in which evidence, artifacts, operations, and verifiers are typed. We develop a category-theoretic account of agentic discovery for materials science. In a fixed regime b with schema category S_b, the system state is a copresheaf I_t: S_b -> Set, and provenance is the category of elements \int_{S_b} I_t. Fixed-regime operation is an update on such states, endofunctorial only when provenance-preserving refinements are specified and preserved. Discovery is instead a verified regime transition u: S_b -> S_b': old artifacts are preserved, transported by the left Kan extension Lan_u I_t, and compared with the post-transition state to identify residual content beyond functorial transport. This separates retrieval, search, and discovery without subjective novelty. We instantiate the framework in two systems. In Builder/Breaker, a protein-mechanics world model is revised under a Minimum Description Length gate; the accepted law expresses within-chain flexibility as all-mode elastic compliance conditioned by slow collective-mode participation, or mode-conditioned compliance. In CategoryScienceClaw, typed skills, artifacts, open needs, workflow mutation, gates, stress tests, and public discourse become a proof-carrying knowledge-computation graph. A fiber-network example records candidate models, rejected alternatives, an AIC gate, perturbation tests, and an accepted orientation-tensor anisotropic stiffness surrogate over an isotropic fiber-count descriptor. Together, the cases show how category theory can be both a mathematical language for discovery and an engineering specification for self-revising AI discovery systems.

  • 2 authors
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May 30

DREAMSTATE: Diffusing States and Parameters for Recurrent Large Language Models

Modern Recurrent Neural Networks (RNNs), such as RWKV, are distinguished by their powerful short-range modeling capabilities and efficient fixed-size states, which constitute a core advantage over standard Transformers. However, there is a significant lack of research into their internal state as an editable knowledge representation. To fill this gap, we first explore the representational properties of the RWKV state by proposing the DREAMSTATE framework. This framework utilizes a conditional Diffusion Transformer (DiT) to directly model the probability manifold of the state, enabling its generation and editing. The structural nature of this representation is validated through t-SNE visualizations and controlled generation experiments. After successfully uncovering and modeling the state's representational potential, we further propose a novel hybrid architecture that combines the local advantages of RNNs with global context adaptability. This architecture features a parallel DiT that processes a variable-length global context to dynamically generate and adjust the core recurrent module's WKV parameters, transforming the fixed recurrence mechanism into a context-aware dynamic function. Experiments demonstrate that this hybrid model can be trained stably via a multi-objective loss, validating its design feasibility. Our work not only opens a new research direction for RNN state representation but also provides a concrete architectural reference for future model design. The code is publicly available at: https://huggingface.co/2dgx41s/DreamState.

  • 1 authors
·
Jan 26

Exploring Token Pruning in Vision State Space Models

State Space Models (SSMs) have the advantage of keeping linear computational complexity compared to attention modules in transformers, and have been applied to vision tasks as a new type of powerful vision foundation model. Inspired by the observations that the final prediction in vision transformers (ViTs) is only based on a subset of most informative tokens, we take the novel step of enhancing the efficiency of SSM-based vision models through token-based pruning. However, direct applications of existing token pruning techniques designed for ViTs fail to deliver good performance, even with extensive fine-tuning. To address this issue, we revisit the unique computational characteristics of SSMs and discover that naive application disrupts the sequential token positions. This insight motivates us to design a novel and general token pruning method specifically for SSM-based vision models. We first introduce a pruning-aware hidden state alignment method to stabilize the neighborhood of remaining tokens for performance enhancement. Besides, based on our detailed analysis, we propose a token importance evaluation method adapted for SSM models, to guide the token pruning. With efficient implementation and practical acceleration methods, our method brings actual speedup. Extensive experiments demonstrate that our approach can achieve significant computation reduction with minimal impact on performance across different tasks. Notably, we achieve 81.7\% accuracy on ImageNet with a 41.6\% reduction in the FLOPs for pruned PlainMamba-L3. Furthermore, our work provides deeper insights into understanding the behavior of SSM-based vision models for future research.

  • 11 authors
·
Sep 27, 2024

Transition Path Sampling with Improved Off-Policy Training of Diffusion Path Samplers

Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamics (MD) simulations are computationally infeasible because of the high energy barriers that separate these states. Although recent machine learning techniques are proposed to sample rare events, they are often limited to simple systems and rely on collective variables (CVs) derived from costly domain expertise. In this paper, we introduce a novel approach that trains diffusion path samplers (DPS) to address the transition path sampling (TPS) problem without requiring CVs. We reformulate the problem as an amortized sampling from the transition path distribution by minimizing the log-variance divergence between the path distribution induced by DPS and the transition path distribution. Based on the log-variance divergence, we propose learnable control variates to reduce the variance of gradient estimators and the off-policy training objective with replay buffers and simulated annealing techniques to improve sample efficiency and diversity. We also propose a scale-based equivariant parameterization of the bias forces to ensure scalability for large systems. We extensively evaluate our approach, termed TPS-DPS, on a synthetic system, small peptide, and challenging fast-folding proteins, demonstrating that it produces more realistic and diverse transition pathways than existing baselines.

  • 5 authors
·
May 30, 2024

Spatial-Mamba: Effective Visual State Space Models via Structure-aware State Fusion

Selective state space models (SSMs), such as Mamba, highly excel at capturing long-range dependencies in 1D sequential data, while their applications to 2D vision tasks still face challenges. Current visual SSMs often convert images into 1D sequences and employ various scanning patterns to incorporate local spatial dependencies. However, these methods are limited in effectively capturing the complex image spatial structures and the increased computational cost caused by the lengthened scanning paths. To address these limitations, we propose Spatial-Mamba, a novel approach that establishes neighborhood connectivity directly in the state space. Instead of relying solely on sequential state transitions, we introduce a structure-aware state fusion equation, which leverages dilated convolutions to capture image spatial structural dependencies, significantly enhancing the flow of visual contextual information. Spatial-Mamba proceeds in three stages: initial state computation in a unidirectional scan, spatial context acquisition through structure-aware state fusion, and final state computation using the observation equation. Our theoretical analysis shows that Spatial-Mamba unifies the original Mamba and linear attention under the same matrix multiplication framework, providing a deeper understanding of our method. Experimental results demonstrate that Spatial-Mamba, even with a single scan, attains or surpasses the state-of-the-art SSM-based models in image classification, detection and segmentation. Source codes and trained models can be found at https://github.com/EdwardChasel/Spatial-Mamba.

  • 5 authors
·
Oct 19, 2024

Ground State Preparation via Dynamical Cooling

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.

  • 4 authors
·
Apr 8, 2024

MSVM-UNet: Multi-Scale Vision Mamba UNet for Medical Image Segmentation

State Space Models (SSMs), especially Mamba, have shown great promise in medical image segmentation due to their ability to model long-range dependencies with linear computational complexity. However, accurate medical image segmentation requires the effective learning of both multi-scale detailed feature representations and global contextual dependencies. Although existing works have attempted to address this issue by integrating CNNs and SSMs to leverage their respective strengths, they have not designed specialized modules to effectively capture multi-scale feature representations, nor have they adequately addressed the directional sensitivity problem when applying Mamba to 2D image data. To overcome these limitations, we propose a Multi-Scale Vision Mamba UNet model for medical image segmentation, termed MSVM-UNet. Specifically, by introducing multi-scale convolutions in the VSS blocks, we can more effectively capture and aggregate multi-scale feature representations from the hierarchical features of the VMamba encoder and better handle 2D visual data. Additionally, the large kernel patch expanding (LKPE) layers achieve more efficient upsampling of feature maps by simultaneously integrating spatial and channel information. Extensive experiments on the Synapse and ACDC datasets demonstrate that our approach is more effective than some state-of-the-art methods in capturing and aggregating multi-scale feature representations and modeling long-range dependencies between pixels.

  • 4 authors
·
Aug 25, 2024

EfficientVMamba: Atrous Selective Scan for Light Weight Visual Mamba

Prior efforts in light-weight model development mainly centered on CNN and Transformer-based designs yet faced persistent challenges. CNNs adept at local feature extraction compromise resolution while Transformers offer global reach but escalate computational demands O(N^2). This ongoing trade-off between accuracy and efficiency remains a significant hurdle. Recently, state space models (SSMs), such as Mamba, have shown outstanding performance and competitiveness in various tasks such as language modeling and computer vision, while reducing the time complexity of global information extraction to O(N). Inspired by this, this work proposes to explore the potential of visual state space models in light-weight model design and introduce a novel efficient model variant dubbed EfficientVMamba. Concretely, our EfficientVMamba integrates a atrous-based selective scan approach by efficient skip sampling, constituting building blocks designed to harness both global and local representational features. Additionally, we investigate the integration between SSM blocks and convolutions, and introduce an efficient visual state space block combined with an additional convolution branch, which further elevate the model performance. Experimental results show that, EfficientVMamba scales down the computational complexity while yields competitive results across a variety of vision tasks. For example, our EfficientVMamba-S with 1.3G FLOPs improves Vim-Ti with 1.5G FLOPs by a large margin of 5.6% accuracy on ImageNet. Code is available at: https://github.com/TerryPei/EfficientVMamba.

  • 3 authors
·
Mar 14, 2024 1

Physics-guided Deep Markov Models for Learning Nonlinear Dynamical Systems with Uncertainty

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from measurement data, where exact inference of latent variables is typically intractable. A recently surfaced option pertains to leveraging variational inference to perform approximate inference. In such a scheme, transition and emission functions of the system are parameterized via feed-forward neural networks (deep generative models). However, due to the generalized and highly versatile formulation of neural network functions, the learned latent space often lacks physical interpretation and structured representation. To address this, we bridge physics-based state space models with Deep Markov Models, thus delivering a hybrid modeling framework for unsupervised learning and identification of nonlinear dynamical systems. The proposed framework takes advantage of the expressive power of deep learning, while retaining the driving physics of the dynamical system by imposing physics-driven restrictions on the side of the latent space. We demonstrate the benefits of such a fusion in terms of achieving improved performance on illustrative simulation examples and experimental case studies of nonlinear systems. Our results indicate that the physics-based models involved in the employed transition and emission functions essentially enforce a more structured and physically interpretable latent space, which is essential for enhancing and generalizing the predictive capabilities of deep learning-based models.

  • 4 authors
·
Oct 16, 2021

Sequential quantum simulation of spin chains with a single circuit QED device

Quantum simulation of many-body systems in materials science and chemistry are promising application areas for quantum computers. However, the limited scale and coherence of near-term quantum processors pose a significant obstacle to realizing this potential. Here, we theoretically outline how a single-circuit quantum electrodynamics (cQED) device, consisting of a transmon qubit coupled to a long-lived cavity mode, can be used to simulate the ground state of a highly-entangled quantum many-body spin chain. We exploit recently developed methods for implementing quantum operations to sequentially build up a matrix product state (MPS) representation of a many-body state. This approach re-uses the transmon qubit to read out the state of each spin in the chain and exploits the large state space of the cavity as a quantum memory encoding inter-site correlations and entanglement. We show, through simulation, that analog (pulse-level) control schemes can accurately prepare a known MPS representation of a quantum critical spin chain in significantly less time than digital (gate-based) methods, thereby reducing the exposure to decoherence. We then explore this analog-control approach for the variational preparation of an unknown ground state. We demonstrate that the large state space of the cavity can be used to replace multiple qubits in a qubit-only architecture, and could therefore simplify the design of quantum processors for materials simulation. We explore the practical limitations of realistic noise and decoherence and discuss avenues for scaling this approach to more complex problems that challenge classical computational methods.

  • 5 authors
·
Aug 29, 2023

FlowState: Sampling Rate Invariant Time Series Forecasting

Foundation models (FMs) have transformed natural language processing, but their success has not yet translated to time series forecasting. Existing time series foundation models (TSFMs), often based on transformer variants, struggle with generalization across varying context and target lengths, lack adaptability to different sampling rates, and are computationally inefficient. We introduce FlowState, a novel TSFM architecture that addresses these challenges through two key innovations: a state space model (SSM) based encoder and a functional basis decoder. This design enables continuous-time modeling and dynamic time-scale adjustment, allowing FlowState to inherently generalize across all possible temporal resolutions, and dynamically adjust the forecasting horizons. In contrast to other state-of-the-art TSFMs, which require training data across all possible sampling rates to memorize patterns at each scale, FlowState inherently adapts its internal dynamics to the input scale, enabling smaller models, reduced data requirements, and improved efficiency. We further propose an efficient pretraining strategy that improves robustness and accelerates training. Despite being the smallest model, FlowState outperforms all other models and is state-of-the-art for the GIFT-ZS and the Chronos-ZS benchmarks. Ablation studies confirm the effectiveness of its components, and we demonstrate its unique ability to adapt online to varying input sampling rates.

  • 4 authors
·
Aug 7, 2025

TADT-CSA: Temporal Advantage Decision Transformer with Contrastive State Abstraction for Generative Recommendation

With the rapid advancement of Transformer-based Large Language Models (LLMs), generative recommendation has shown great potential in enhancing both the accuracy and semantic understanding of modern recommender systems. Compared to LLMs, the Decision Transformer (DT) is a lightweight generative model applied to sequential recommendation tasks. However, DT faces challenges in trajectory stitching, often producing suboptimal trajectories. Moreover, due to the high dimensionality of user states and the vast state space inherent in recommendation scenarios, DT can incur significant computational costs and struggle to learn effective state representations. To overcome these issues, we propose a novel Temporal Advantage Decision Transformer with Contrastive State Abstraction (TADT-CSA) model. Specifically, we combine the conventional Return-To-Go (RTG) signal with a novel temporal advantage (TA) signal that encourages the model to capture both long-term returns and their sequential trend. Furthermore, we integrate a contrastive state abstraction module into the DT framework to learn more effective and expressive state representations. Within this module, we introduce a TA-conditioned State Vector Quantization (TAC-SVQ) strategy, where the TA score guides the state codebooks to incorporate contextual token information. Additionally, a reward prediction network and a contrastive transition prediction (CTP) network are employed to ensure the state codebook preserves both the reward information of the current state and the transition information between adjacent states. Empirical results on both public datasets and an online recommendation system demonstrate the effectiveness of the TADT-CSA model and its superiority over baseline methods.

Computation-Efficient Era: A Comprehensive Survey of State Space Models in Medical Image Analysis

Sequence modeling plays a vital role across various domains, with recurrent neural networks being historically the predominant method of performing these tasks. However, the emergence of transformers has altered this paradigm due to their superior performance. Built upon these advances, transformers have conjoined CNNs as two leading foundational models for learning visual representations. However, transformers are hindered by the O(N^2) complexity of their attention mechanisms, while CNNs lack global receptive fields and dynamic weight allocation. State Space Models (SSMs), specifically the \textbf{Mamba} model with selection mechanisms and hardware-aware architecture, have garnered immense interest lately in sequential modeling and visual representation learning, challenging the dominance of transformers by providing infinite context lengths and offering substantial efficiency maintaining linear complexity in the input sequence. Capitalizing on the advances in computer vision, medical imaging has heralded a new epoch with Mamba models. Intending to help researchers navigate the surge, this survey seeks to offer an encyclopedic review of Mamba models in medical imaging. Specifically, we start with a comprehensive theoretical review forming the basis of SSMs, including Mamba architecture and its alternatives for sequence modeling paradigms in this context. Next, we offer a structured classification of Mamba models in the medical field and introduce a diverse categorization scheme based on their application, imaging modalities, and targeted organs. Finally, we summarize key challenges, discuss different future research directions of the SSMs in the medical domain, and propose several directions to fulfill the demands of this field. In addition, we have compiled the studies discussed in this paper along with their open-source implementations on our GitHub repository.

  • 11 authors
·
Jun 5, 2024