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Published work

21 published item(s)

preprint2026arXiv

Continuous-time q-learning for mean-field control with common noise, part-I: Theoretical foundations

This paper investigates the continuous-time counterpart of the Q-function for entropy-regularized mean-field control (MFC) with controlled common noise, coined as q-function by Jia and Zhou (2023) in the single agent's model. We first show that, under discretely sampled actions, the value function in the exploratory formulation converges to the one in the relaxed control formulation as the time grid refines. Leveraging the relaxed control formulation, we derive the exploratory Hamilton-Jacobi-Bellman (HJB) equation, in which the controlled common noise gives rise to an additional nonlinear functional of policy, rendering the policy iteration intricate. Under certain concavity condition, we establish the existence and uniqueness of the optimal one-step policy iteration via a first-order condition using the partial linear functional derivative with respect to policy. The policy improvement at each iteration is verified by relating to an entropy-regularized optimization problem over the space of policies. In the mean-field setting, we introduce the integrated q-function (Iq-function) defined on the state distribution and the policy, and it is shown that an optimal policy is identified as a two-layer fixed point to the argmax operator of the Iq-function. Finally, we provide the explicit characterization of an optimal policy as a Gaussian distribution in the general linear-quadratic (LQ) setting.

preprint2026arXiv

Continuous-time q-learning for mean-field control with common noise, part-II: q-learning algorithms

This paper is a continuation work of Ren et al. (2026) aiming to further devise q-learning algorithms for mean-field control (MFC) with controlled common noise. Based on the relaxed control formulation, we first establish the martingale condition of the value function and the Iq-function by evaluating along the conditional state distributions generated by all test policies. As the data in the relaxed control formulation are not observable in practice, we quantify the error incurred when they are replaced by the observable ones in the exploratory formulation under discretely sampled actions. This, together with a two-layer fixed point characterization of an optimal policy in Ren et al. (2026), allows us to propose several algorithms including the Actor-Critic q-learning algorithm, in which the policy is updated in the Actor-step based on the iteration rule induced by the improved Iq-function, and the value function and Iq-function are updated in the Critic-step based on the martingale orthogonality condition using the data from the exploratory formulation. We also establish the convergence of the inner iterations in the Actor-step in an infinite-horizon linear quadratic (LQ) framework. In two examples, within and beyond LQ framework, our q-learning algorithms are implemented with satisfactory performance.

preprint2026arXiv

Incremental equations in curvature-dependent surface elasticity

We develop a general incremental framework for hyperelastic solids whose surfaces exhibit both stretch-dependent and curvature-dependent elastic behavior. Building upon a variational formulation of curvature-dependent surface elasticity, we derive compact governing equations expressed in a coordinate-free Lagrangian setting that remain valid for arbitrary geometries. Linearization about an arbitrarily large finite deformation yields incremental bulk and surface balance laws that closely resemble the classical small-on-large theory, but are now extended to include surface-curvatureinduced stresses. The applicability of the general theory is demonstrated by analyzing the onset of periodic beading in a soft cylindrical substrate coated with a surface layer exhibiting stretching- or curvature-dependent behavior, illustrating how surface stretching and bending effects influence instability thresholds for both compressible and incompressible bulk. This unified formulation thus provides a foundation for studying stability phenomena in elasto-capillary systems where surface curvature plays a critical mechanical role.

preprint2026arXiv

Transformer-Based Approach for Automated Functional Group Replacement in Chemical Compounds

Functional group replacement is a pivotal approach in cheminformatics to enable the design of novel chemical compounds with tailored properties. Traditional methods for functional group removal and replacement often rely on rule-based heuristics, which can be limited in their ability to generate diverse and novel chemical structures. Recently, transformer-based models have shown promise in improving the accuracy and efficiency of molecular transformations, but existing approaches typically focus on single-step modeling, lacking the guarantee of structural similarity. In this work, we seek to advance the state of the art by developing a novel two-stage transformer model for functional group removal and replacement. Unlike one-shot approaches that generate entire molecules in a single pass, our method generates the functional group to be removed and appended sequentially, ensuring strict substructure-level modifications. Using a matched molecular pairs (MMPs) dataset derived from ChEMBL, we trained an encoder-decoder transformer model with SMIRKS-based representations to capture transformation rules effectively. Extensive evaluations demonstrate our method's ability to generate chemically valid transformations, explore diverse chemical spaces, and maintain scalability across varying search sizes.

preprint2022arXiv

An analytic derivation of the bifurcation conditions for localization in hyperelastic tubes and sheets

We provide an analytic derivation of the bifurcation conditions for localized bulging in an inflated hyperelastic tube of arbitrary wall thickness and axisymmetric necking in a hyperelastic sheet under equibiaxial stretching. It has previously been shown numerically that the bifurcation condition for the former problem is equivalent to the vanishing of the Jacobian determinant of the internal pressure $P$ and resultant axial force $N$, with each of them viewed as a function of the azimuthal stretch on the inner surface and the axial stretch. This equivalence is established here analytically. For the latter problem for which it has recently been shown that the bifurcation condition is not given by a Jacobian determinant equal to zero, we explain why this is the case and provide an alternative interpretation.

preprint2022arXiv

Bone tumor suppression in rabbits by hyperthermia below the clinical safety limit using aligned magnetic bone cement

Demonstrating highly efficient alternating current (AC) magnetic field heating of nanoparticles in physiological environments under clinically safe field parameters has remained a great challenge, hindering clinical applications of magnetic hyperthermia. In this work, we report exceptionally high loss power of magnetic bone cement under clinical safety limit of AC field parameters, incorporating DC field-aligned soft magnetic Zn0.3Fe2.7O4 nanoparticles with low concentration. Under an AC field of 4 kA/m at 430 kHz, the aligned bone cement with 0.2 wt% nanoparticles achieved a temperature increase of 30 C in 180 s. This amounts to a specific loss power value of 327 W/gmetal and an intrinsic loss power of 47 nHm^2/kg, which is enhanced by 50-fold compared to randomly oriented samples. The high-performance magnetic bone cement allows for the demonstration of effective hyperthermia suppression of tumor growth in the bone marrow cavity of New Zealand White Rabbits subjecting to rapid cooling due to blood circulation, and significant enhancement of survival rate.

preprint2022arXiv

Centralized systemic risk control in the interbank system: Weak formulation and Gamma-convergence

This paper studies a systemic risk control problem by the central bank, which dynamically plans monetary supply to stabilize the interbank system with borrowing and lending activities. Facing both heterogeneity among banks and the common noise, the central bank aims to find an optimal strategy to minimize the average distance between log-monetary reserves of all banks and the benchmark of some target steady levels. A weak formulation is adopted, and an optimal randomized control can be obtained in the system with finite banks by applying Ekeland's variational principle. As the number of banks grows large, we prove the convergence of optimal strategies using the Gamma-convergence argument, which yields an optimal weak control in the mean field model. It is shown that this mean field optimal control is associated to the solution of a stochastic Fokker-Planck-Kolmogorov (FPK) equation, for which the uniqueness of the solution is established under some mild conditions.

preprint2022arXiv

Controllable Dynamic Multi-Task Architectures

Multi-task learning commonly encounters competition for resources among tasks, specifically when model capacity is limited. This challenge motivates models which allow control over the relative importance of tasks and total compute cost during inference time. In this work, we propose such a controllable multi-task network that dynamically adjusts its architecture and weights to match the desired task preference as well as the resource constraints. In contrast to the existing dynamic multi-task approaches that adjust only the weights within a fixed architecture, our approach affords the flexibility to dynamically control the total computational cost and match the user-preferred task importance better. We propose a disentangled training of two hypernetworks, by exploiting task affinity and a novel branching regularized loss, to take input preferences and accordingly predict tree-structured models with adapted weights. Experiments on three multi-task benchmarks, namely PASCAL-Context, NYU-v2, and CIFAR-100, show the efficacy of our approach. Project page is available at https://www.nec-labs.com/~mas/DYMU.

preprint2022arXiv

On Generalizing Beyond Domains in Cross-Domain Continual Learning

Humans have the ability to accumulate knowledge of new tasks in varying conditions, but deep neural networks often suffer from catastrophic forgetting of previously learned knowledge after learning a new task. Many recent methods focus on preventing catastrophic forgetting under the assumption of train and test data following similar distributions. In this work, we consider a more realistic scenario of continual learning under domain shifts where the model must generalize its inference to an unseen domain. To this end, we encourage learning semantically meaningful features by equipping the classifier with class similarity metrics as learning parameters which are obtained through Mahalanobis similarity computations. Learning of the backbone representation along with these extra parameters is done seamlessly in an end-to-end manner. In addition, we propose an approach based on the exponential moving average of the parameters for better knowledge distillation. We demonstrate that, to a great extent, existing continual learning algorithms fail to handle the forgetting issue under multiple distributions, while our proposed approach learns new tasks under domain shift with accuracy boosts up to 10% on challenging datasets such as DomainNet and OfficeHome.

preprint2022arXiv

On the Stability of Lagrange Relative Equilibrium in The Planar Three-body Problem

Since the strong degeneracies present in the N-body problem, even in the basic case of the planar three-body problem, nobody inspects the problem of nonlinear stability of Lagrange relative equilibrium. We introduce a new coordinate system to reduce degeneracies according to intrinsic symmetrical characteristic of the N-body problem, then we prove that Lagrange relative equilibrium is stable in the sense of measure, provided it is spectrally stable and except six special resonant cases. Indeed, under this condition, there are abundant KAM invariant tori or quasi-periodic solutions near Lagrange relative equilibrium. Furthermore, these tori or quasi-periodic solutions form a set whose relative measure rapidly tends to 1. We also prove that Lagrange relative equilibrium is exponentially stable for almost every choice of masses in the sense of measure, provided it is spectrally stable; and topologically, this is also right for a large open subset of spectrally stable space of masses.

preprint2022arXiv

Optimal Consumption with Reference to Past Spending Maximum

This paper studies the infinite-horizon optimal consumption with a path-dependent reference under exponential utility. The performance is measured by the difference between the nonnegative consumption rate and a fraction of the historical consumption maximum. The consumption running maximum process is chosen as an auxiliary state process, and hence the value function depends on two state variables. The Hamilton-Jacobi-Bellman (HJB) equation can be heuristically expressed in a piecewise manner across different regions to take into account all constraints. By employing the dual transform and smooth-fit principle, some thresholds of the wealth variable are derived such that a classical solution to the HJB equation and the feedback optimal investment and consumption strategies can be obtained in closed form in each region. A complete proof of the verification theorem is provided, and numerical examples are presented to illustrate some financial implications.

preprint2022arXiv

Single-Stream Multi-Level Alignment for Vision-Language Pretraining

Self-supervised vision-language pretraining from pure images and text with a contrastive loss is effective, but ignores fine-grained alignment due to a dual-stream architecture that aligns image and text representations only on a global level. Earlier, supervised, non-contrastive methods were capable of finer-grained alignment, but required dense annotations that were not scalable. We propose a single stream architecture that aligns images and language at multiple levels: global, fine-grained patch-token, and conceptual/semantic, using two novel tasks: symmetric cross-modality reconstruction (XMM) and a pseudo-labeled key word prediction (PSL). In XMM, we mask input tokens from one modality and use cross-modal information to reconstruct the masked token, thus improving fine-grained alignment between the two modalities. In PSL, we use attention to select keywords in a caption, use a momentum encoder to recommend other important keywords that are missing from the caption but represented in the image, and then train the visual encoder to predict the presence of those keywords, helping it learn semantic concepts that are essential for grounding a textual token to an image region. We demonstrate competitive performance and improved data efficiency on image-text retrieval, grounding, visual question answering/reasoning against larger models and models trained on more data. Code and models available at zaidkhan.me/SIMLA.

preprint2021arXiv

Synthetic Generation of Three-Dimensional Cancer Cell Models from Histopathological Images

Synthetic generation of three-dimensional cell models from histopathological images aims to enhance understanding of cell mutation, and progression of cancer, necessary for clinical assessment and optimal treatment. Classical reconstruction algorithms based on image registration of consecutive slides of stained tissues are prone to errors and often not suitable for the training of three-dimensional segmentation algorithms. We propose a novel framework to generate synthetic three-dimensional histological models based on a generator-discriminator pattern optimizing constrained features that construct a 3D model via a Blender interface exploiting smooth shape continuity typical for biological specimens. To capture the spatial context of entire cell clusters we deploy a novel deep topology transformer that implements and attention mechanism on cell group images to extract features for the frozen feature decoder. The proposed algorithms achieves high quantitative and qualitative synthesis evident in comparative evaluation metrics such as a low Frechet-Inception scores.

preprint2021arXiv

Voting-based Approaches For Differentially Private Federated Learning

Differentially Private Federated Learning (DPFL) is an emerging field with many applications. Gradient averaging based DPFL methods require costly communication rounds and hardly work with large-capacity models, due to the explicit dimension dependence in its added noise. In this work, inspired by knowledge transfer non-federated privacy learning from Papernot et al.(2017; 2018), we design two new DPFL schemes, by voting among the data labels returned from each local model, instead of averaging the gradients, which avoids the dimension dependence and significantly reduces the communication cost. Theoretically, by applying secure multi-party computation, we could exponentially amplify the (data-dependent) privacy guarantees when the margin of the voting scores are large. Extensive experiments show that our approaches significantly improve the privacy-utility trade-off over the state-of-the-arts in DPFL.

preprint2020arXiv

Distinct coordinate solutions of linear equations over finite fields

Let $\mathbb{F}_q$ be the finite field of $q$ elements and $a_1,a_2, \ldots, a_k, b\in \mathbb{F}_q$. We investigate $N_{\mathbb{F}_q}(a_1, a_2, \ldots,a_k;b)$, the number of ordered solutions $(x_1, x_2, \ldots,x_k)\in\mathbb{F}_q^k$ of the linear equation $$ a_1x_1+a_2x_2+\cdots+a_kx_k=b$$ with all $x_i$ distinct. We obtain an explicit formula for $N_{\mathbb{F}_q}(a_1,a_2, \ldots, a_k;b)$ involving combinatorial numbers depending on $a_i$'s. In particular, we obtain closed formulas for two special cases. One is that $a_i, 1\leq i\leq k$ take at most three distinct values and the other is that $\sum_{i=1}^ka_i=0$ and $\sum_{i\in I}a_i\neq 0$ for any $I\subsetneq [k]$. The same technique works when $\mathbb{F}_q$ is replaced by $\mathbb{Z}_n$, the ring of integers modulo $n$. In particular, we give a new proof for the main result given by Bibak, Kapron and Srinivasan, which generalizes a theorem of Schönemann via a graph theoretic method.

preprint2020arXiv

Improving Face Recognition by Clustering Unlabeled Faces in the Wild

While deep face recognition has benefited significantly from large-scale labeled data, current research is focused on leveraging unlabeled data to further boost performance, reducing the cost of human annotation. Prior work has mostly been in controlled settings, where the labeled and unlabeled data sets have no overlapping identities by construction. This is not realistic in large-scale face recognition, where one must contend with such overlaps, the frequency of which increases with the volume of data. Ignoring identity overlap leads to significant labeling noise, as data from the same identity is split into multiple clusters. To address this, we propose a novel identity separation method based on extreme value theory. It is formulated as an out-of-distribution detection algorithm, and greatly reduces the problems caused by overlapping-identity label noise. Considering cluster assignments as pseudo-labels, we must also overcome the labeling noise from clustering errors. We propose a modulation of the cosine loss, where the modulation weights correspond to an estimate of clustering uncertainty. Extensive experiments on both controlled and real settings demonstrate our method's consistent improvements over supervised baselines, e.g., 11.6% improvement on IJB-A verification.

preprint2020arXiv

On Dynamic Programming Principle for Stochastic Control under Expectation Constraints

This paper studies the dynamic programming principle using the measurable selection method for stochastic control of continuous processes. The novelty of this work is to incorporate intermediate expectation constraints on the canonical space at each time t. Motivated by some financial applications, we show that several types of dynamic trading constraints can be reformulated into expectation constraints on paths of controlled state processes. Our results can therefore be employed to recover the dynamic programming principle for these optimal investment problems under dynamic constraints, possibly path-dependent, in a non-Markovian framework.

preprint2020arXiv

On Periodic orbits of the Planar N-body Problem

By introducing a new coordinate system, we prove that there are abundant new periodic orbits near relative equilibrium solutions of the N-body problem. We consider only Lagrange relative equilibrium of the three-body problem and Euler-Moulton relative equilibrium of the N-body problem, although we believe that there are similar results for general relative equilibrium solutions. All of these periodic orbits lie on a 2d-dimensional central manifold of the planar N-body problem. Besides d one parameter family of periodic orbits which are well known as Lyapunov's orbits or Weinstein's orbits, we further prove that periodic orbits are unexpectedly abundant: generically the relative measure of the closure of the set of periodic orbits near relative equilibrium solutions on the 2d-dimensional central manifold is close to 1. These abundant periodic orbits are named Conley-Zender's orbits, since to find them is based on an extended result of Conley and Zender on the local existence result for periodic orbits near an elliptic equilibrium point of a Hamiltonian. In particular, the results provide some evidences to support the well known claim of Poincaré on the conjecture of periodic orbits of the N-body problem.

preprint2020arXiv

On the bail-out dividend problem for spectrally negative Markov additive models

This paper studies the bail-out optimal dividend problem with regime switching under the constraint that the cumulative dividend strategy is absolutely continuous. We confirm the optimality of the regime-modulated refraction-reflection strategy when the underlying risk model follows a general spectrally negative Markov additive process. To verify the conjecture of a barrier type optimal control, we first introduce and study an auxiliary problem with the final payoff at an exponential terminal time and characterize the optimal threshold explicitly using fluctuation identities of the refracted-reflected Levy process. Second, we transform the problem with regime-switching into an equivalent local optimization problem with a final payoff up to the first regime switching time. The refraction-reflection strategy with regime-modulated thresholds can be shown as optimal by using results in the first step and some fixed point arguments for auxiliary recursive iterations.

preprint2020arXiv

Towards Universal Representation Learning for Deep Face Recognition

Recognizing wild faces is extremely hard as they appear with all kinds of variations. Traditional methods either train with specifically annotated variation data from target domains, or by introducing unlabeled target variation data to adapt from the training data. Instead, we propose a universal representation learning framework that can deal with larger variation unseen in the given training data without leveraging target domain knowledge. We firstly synthesize training data alongside some semantically meaningful variations, such as low resolution, occlusion and head pose. However, directly feeding the augmented data for training will not converge well as the newly introduced samples are mostly hard examples. We propose to split the feature embedding into multiple sub-embeddings, and associate different confidence values for each sub-embedding to smooth the training procedure. The sub-embeddings are further decorrelated by regularizing variation classification loss and variation adversarial loss on different partitions of them. Experiments show that our method achieves top performance on general face recognition datasets such as LFW and MegaFace, while significantly better on extreme benchmarks such as TinyFace and IJB-S.

preprint2010arXiv

Molecular Dynamics Simulation of Macromolecules Using Graphics Processing Unit

Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In recent years, graphics processing unit (GPU) provides unprecedented computational power for scientific applications. Many MD algorithms suit with the multithread nature of GPU. In this paper, MD algorithms for macromolecular systems that run entirely on GPU are presented. Compared to the MD simulation with free software GROMACS on a single CPU core, our codes achieve about 10 times speed-up on a single GPU. For validation, we have performed MD simulations of polymer crystallization on GPU, and the results observed perfectly agree with computations on CPU. Therefore, our single GPU codes have already provided an inexpensive alternative for macromolecular simulations on traditional CPU clusters and they can also be used as a basis to develop parallel GPU programs to further speedup the computations.