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We have developed a deep generative model, generative tensorial reinforcement learning (GENTRL), for de novo small-molecule design. GENTRL optimizes synthetic feasibility, novelty, and biological activity. We used GENTRL to discover potent inhibitors of discoidin domain receptor 1 (DDR1), a kinase target implicated in fibrosis and other diseases, in 21 days. Four compounds were active in biochemical assays, and two were validated in cell-based assays. One lead candidate was tested and demonstrated favorable pharmacokinetics in mice. A machine learning model allows the identification of new small-molecule kinase inhibitors in days.

We describe an adaptive market-making architecture that preserves the analytical structure of the Avellaneda--Stoikov framework while introducing a successor measure-style adaptation mechanism. In our paper we keep Avellaneda--Stoikov fast Hamilton--Jacobi--Bellman structure and make it adaptive to changing market regimes and trading objectives. The central idea is to separate market dynamics from the trading objective. The market state determines a low-dimensional set of Avellaneda--Stoikov parameters, while recent realized rewards determine a low-dimensional objective vector. The HJB forward map then converts this objective into optimal bid and ask quotes through a scalarization of future reward features.

The field of Machine Learning research is divided into subject areas, where each area tries to solve a specific problem, using specific methods. In recent years, borders have almost been erased, and many areas inherit methods from other areas. This trend leads to better results and the number of papers in the field is growing every year. The problem is that the amount of information is also growing, and many methods remain unknown in a large number of papers. In this work, we propose the concept of inheritance between machine learning models, which allows conducting research, processing much less information, and pay attention to previously unnoticed models. We hope that this project will allow researchers to find ways to improve their ideas. In addition, it can be used by researchers to publish their methods too. Project is available by link: https://www.infornopolitan.xyz/backronym

Offline reinforcement learning (RL) learns exclusively from static datasets, without further interaction with the environment. In practice, such datasets vary widely in quality, often mixing expert, suboptimal, and even random trajectories. The choice of algorithm therefore depends on dataset fidelity. Behavior cloning can suffice on high-quality data, whereas mixed- or low-quality data typically benefits from offline RL methods that stitch useful behavior across trajectories. Yet in the wild it is difficult to assess dataset quality a priori because the data's provenance and skill composition are unknown. We address the problem of estimating offline dataset quality without training an agent. We study a spectrum of proxies from simple cumulative rewards to learned value based estimators, and introduce the Bellman Wasserstein distance (BWD), a value aware optimal transport score that measures how dissimilar a dataset's behavioral policy is from a random reference policy. BWD is computed from a behavioral critic and a state conditional OT formulation, requiring no environment interaction or full policy optimization. Across D4RL MuJoCo tasks, BWD strongly correlates with an oracle performance score that aggregates multiple offline RL algorithms, enabling efficient prediction of how well standard agents will perform on a given dataset. Beyond prediction, integrating BWD as a regularizer during policy optimization explicitly pushes the learned policy away from random behavior and improves returns. These results indicate that value aware, distributional signals such as BWD are practical tools for triaging offline RL datasets and policy optimization.

We propose the novel framework for generative modelling using hybrid energy-based models. In our method we combine the interpretable input gradients of the robust classifier and Langevin Dynamics for sampling. Using the adversarial training we improve not only the training stability, but robustness and generative modelling of the joint energy-based models.

Recently, small models with latent recursion have obtained promising results on complex reasoning tasks. These results are typically explained by the theory that such recursion increases a networks depth, allowing it to compactly emulate the capacity of larger models. However, the performance of recursively added layers remains behind the capabilities of one pass models with the same feed-forward depth. This means that in the looped version, not every recursive step effectively contributes to depth. This raises the question: when and why does latent reasoning improve performance, and when does it result in dead compute? In our work, we demonstrate that latent recursive reasoning provides answer to this question. We show that latent recursive reasoning can be formalized as a policy improvement algorithm. Building on these insights, we propose to use a training schemes from reinforcement learning and diffusion methods for latent reasoning models. Using the Tiny Recursive Model as our testbed, we show that with our modifications we can avoid dead compute steps and reduce the total number of forward passes by 18x while maintaining performance. Broadly speaking, we show how a policy improvement perspective on recursive steps can explain model behavior and provide insights for further improvements.

Reinforcement learning substantially improves pretrained language models, but it remains understudied why critic-free methods such as PPO and GRPO work as well as they do, and when they should provide the largest gains. We develop a value-gradient perspective of critic-free RL for LLM post-training. First, under a differentiable rollout and additive-noise parameterization, we show that the actor update is value-gradient-like in expectation: the backward pass propagates costates whose conditional expectation equals the value gradient. Second, for discrete transformer policies, we show that autodifferentiation through attention produces empirical costates that approximate this value signal, with an error controlled by the sampling gap and policy entropy. These results motivate a decomposition of RL impact into value gradient signal and reachable reward headroom, yielding a criterion for when RL should be most effective along a pretraining trajectory.

While the continuous Entropic Optimal Transport (EOT) field has been actively developing in recent years, it became evident that the classic EOT problem is prone to different issues like the sensitivity to outliers and imbalance of classes in the source and target measures. This fact inspired the development of solvers that deal with the unbalanced EOT (UEOT) problem \\(-\\) the generalization of EOT allowing for mitigating the mentioned issues by relaxing the marginal constraints. Surprisingly, it turns out that the existing solvers are either based on heuristic principles or heavy-weighted with complex optimization objectives involving several neural networks. We address this challenge and propose a novel theoretically-justified, lightweight, unbalanced EOT solver. Our advancement consists of developing a novel view on the optimization of the UEOT problem yielding tractable and a non-minimax optimization objective. We show that combined with a light parametrization recently proposed in the field our objective leads to a fast, simple, and effective solver which allows solving the continuous UEOT problem in minutes on CPU. We prove that our solver provides a universal approximation of UEOT solutions and obtain its generalization bounds. We give illustrative examples of the solver's performance. The code is publicly available at https://github.com/milenagazdieva/LightUnbalancedOptimalTransport.

Learning conditional distributions \\(^*(|x)\\) is a central problem in machine learning, which is typically approached via supervised methods with paired data \\((x,y) ^*\\). However, acquiring paired data samples is often challenging, especially in problems such as domain translation. This necessitates the development of \\(semi-supervised\\) models that utilize both limited paired data and additional unpaired i.i.d. samples \\(x ^*_x\\) and \\(y ^*_y\\) from the marginal distributions. The usage of such combined data is complex and often relies on heuristic approaches. To tackle this issue, we propose a new learning paradigm called \\(EBiEOT\\) that integrates both paired and unpaired data seamlessly using data likelihood maximization techniques. We demonstrate that our approach also connects intriguingly with inverse entropic optimal transport (OT). This finding allows us to apply recent advances in computational OT to establish an \\(end-to-end\\) learning algorithm to get \\(^*(|x)\\). In addition, we derive the universal approximation property, demonstrating that our approach can theoretically recover true conditional distributions with arbitrarily small error. Finally, we demonstrate through empirical tests that our method effectively learns conditional distributions using paired and unpaired data simultaneously. The code of \\(EBiEOT\\) is available at https://github.com/MuXauJl11110/EBiEOT.

Off-policy learning methods seek to derive an optimal policy directly from a fixed dataset of prior interactions. This objective presents significant challenges, primarily due to the inherent distributional shift and value function overestimation bias. These issues become even more noticeable in zero-shot reinforcement learning, where an agent trained on reward-free data must adapt to new tasks at test time without additional training. In this work, we address the off-policy problem in a zero-shot setting by discovering a theoretical connection of successor measures to stationary density ratios. Using this insight, our algorithm can infer optimal importance sampling ratios, effectively performing a stationary distribution correction with an optimal policy for any task on the fly. We benchmark our method in motion tracking tasks on SMPL Humanoid, continuous control on ExoRL, and for the long-horizon OGBench tasks. Our technique seamlessly integrates into forward-backward representation frameworks and enables fast-adaptation to new tasks in a training-free regime. More broadly, this work bridges off-policy learning and zero-shot adaptation, offering benefits to both research areas.