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Dong Xu

Publications and source records attributed to Dong Xu.

At least 19 recordsLinked to original sources

Physical Diffusion Policy via MPM-Guided 3D Gaussian Simulation

Learning robust manipulation policies for diverse everyday objects remains challenging because objects with different materials exhibit distinct deformation and contact dynamics. While diffusion policies provide a powerful framework for modeling multimodal manipulation behaviors, they typically lack explicit physical reasoning and may produce averaged actions when facing heterogeneous objects. We present a physics-aware diffusion policy that augments visual imitation learning with object physical understanding. Our framework recovers material properties from visual demonstrations by coupling 3D Gaussian Splatting with differentiable Material Point Method simulation, where video guidance and particle-level constraints enable accurate physical parameter estimation. The estimated physics conditions are further integrated into a material-aware Mixture-of-Experts diffusion policy, allowing adaptive behavior generation across different physical regimes. For practical deployment, we introduce a physics memory bank that provides efficient physical retrieval without requiring online simulation optimization. Experiments on a wide range of simulated and real-world objects demonstrate improved manipulation success and generalization over existing diffusion-based approaches. These results show that incorporating physical knowledge is critical for scalable robot manipulation in diverse environments.

cs.RO↗

An Agentic Framework for Quality-Aware and Scenario-Adaptive Image Compression

Despite decades of progress, image codecs remain difficult to adapt to diverse real-world compression scenarios for two main reasons. First, most image codecs are optimized for a specific objective and require substantial redevelopment when the compression goal changes. Second, they typically assume clean inputs, whereas sensor-captured images often contain degradations that alter rate-quality behavior. To address these challenges, we propose Practical Image Coding Agents (PICA), a multi-agent framework that adapts existing codecs to diverse user requirements and potentially degraded inputs. PICA consists of four collaborative agents: a Perception agent that interprets user intent and analyzes image content, an Improvement agent that jointly considers bitrate and reconstruction quality to guide pre-coding restoration, a Coding agent that refines quality-control settings from global to regional levels, and an After-coding improvement agent that addresses residual degradations and compression-induced artifacts through restoration guided solely by image quality. To enable codec-agnostic regional adaptation, we introduce Agentic ROI Coding (AROIC), which treats the codec as a black box and allows the agent to automatically schedule, execute, evaluate, and reflect ROI coding plans without architectural modifications or codec-specific retraining. We integrate these four agents with a Scenario-Guided Quality-Rate (SGQR) evaluation strategy to enable more effective scenario-adaptive compression across heterogeneous codecs. Comprehensive experiments on clean, noisy, and blurred images across standard, perceptual, and machine-vision compression scenarios demonstrate that PICA consistently enhances the compression performance of both the conventional H.266/VVC codec and the neural Cheng2020 codec, outperforming competing compression methods on the Kodak, CLIC2020, and HEVC datasets.

cs.CV↗

Youtu-Parsing-Omni: One Encoder, One Schema, All Modalities

We present Youtu-Parsing-Omni, an omni-modal parser that converts documents, images, audio, and video into structured records grounded in space and time, providing a perception layer for agents that read, locate, and cite evidence across modalities. Its design rests on one encoder for every modality and one schema for every task. Youtu-Omni-Encoder, initialized from a pre-trained language model to strengthen text reading, encodes all modalities with shared weights in a unified space-time coordinate system, and a few fusion layers let video frames attend to concurrent audio, bringing cross-modal fusion and temporal alignment into perception itself. OmniSchema unifies the outputs of all ten parsing tasks, allowing a single self-evolving post-training procedure, OmniSchema-Aware On-Policy Distillation (OSAD), to provide a shared token-role-based objective across tasks. In each round, the model is trained on its own rollouts against token-level targets from a reference-conditioned copy of itself, which is then refreshed with the trained weights, so that the parser and its supervision co-evolve. With a single 5 B-parameter checkpoint, Youtu-Parsing-Omni achieves state-of-the-art performance on OmniDocBench v1.6 (96.96 Overall) and leads all open-weight models on OmniParsingBench (75.08 Avg.), with its advantage concentrated on audio and video. It also achieves the best overall chart-parsing score (95.02) and the highest exact chemical-fingerprint agreement among compared systems, and matches a dedicated optical-music model in character-level transcription of typeset sheet music while staying far ahead of general-purpose systems. Code and model weights are publicly available.

cs.CV↗

EP241021a as An Off-nuclear Month-duration Transient in a Dwarf Starburst Galaxy

EP241021a is a peculiar fast X-ray transient exhibiting a long X-ray plateau and an optical rebrightening, both challenging the traditional jet afterglow model. Whether its nature is a stellar explosion or a tidal disruption event (TDE) remains debated. Here we present late-time HST/WFC3 and Gemini-N/GMOS observations of its host galaxy at $z=0.748$. After $\sim300$ days post-trigger, the transient emission had faded below detection, revealing a dwarf disk galaxy with an effective radius $R_e=1.7$ kpc, a stellar mass $M_\star\sim3\times10^8M_\odot$, and a high star formation rate of $\sim5\ M_\odot\ {\rm yr}^{-1}$. Combined with previous very long baseline interferometry measurements, the transient can be located in the galactic disk with a projected physical offset of $0.95\pm0.13$ kpc from the galaxy center. Host-subtracted optical light curves show that the rebrightening ceased at $\sim47$ days, followed by a sudden drop with a power-law index steeper than $-3.3$, coincident with a similar drop in the X-ray light curve. This synchronous drop in both bands is consistent with jet shut-off, and the required month-long jet activity suggests a persistently accreting compact object fed by a TDE. Among the TDE scenarios, the off-nuclear location and the starburst host galaxy slightly favor the post-supernova micro-TDE scenario in a binary system, in which a natal kick drives the newborn compact object into a tidal disruption of its companion. Nevertheless, an off-nuclear intermediate-mass black hole TDE or a stellar-mass black hole TDE induced by dynamical scattering in a dense stellar cluster cannot yet be excluded.

astro-ph.HE↗

VPFlow: Value-Predictive Planning with Imperfect World Models for Offline Goal Reaching

Offline goal-conditioned reinforcement learning enables skill acquisition by reaching any goal from any state without dense rewards. Model-based methods allow for planning by scaling test-time compute to solve complex tasks. Combining both holds appealing promise for pre-training on suboptimal demonstrations and zero-shot adaptation via goal specification and planning. Yet existing methods assume effective planning requires accurate next-state prediction in pixel or latent space. In this work, we show that value prediction is more useful for planning, whereas accurate state prediction is often unnecessary. Our key insight is that offline goal reaching naturally admits a closed-form Monte Carlo return, enabling value regression to replace temporal-difference bootstrapping. We use this return as the sole supervision for latent world models: imagined latents are trained to predict goal-reaching value rather than match future states, implicitly preventing representation collapse. These planning-oriented representations let imperfect world models imagine on the level sets of value field beyond dataset transitions. We then present VPFlow, a value-predictive planner that pairs the world models with a one-step flow policy and plans in its noise space via evolutionary search. It enables policy improvement with imagined generalized advantage and reduces out-of-distribution queries common in action-space planning. On 30 state and pixel OGBench datasets, VPFlow surpasses model-free baselines by at least 30.3 and 10.1 percentage points in success rate, respectively, and outperforms latent planners LeWorldModel, PLDM, and TD-MPC2. It achieves this despite a latent prediction error orders of magnitude larger than with state prediction, while minimizing this error lowers success rate. This demonstrates that value-predictive representations, not exact state prediction, are what offline planning requires.

cs.LG↗

GDBA-Net: A Gated Dual-Branch Adaptation of SAM2 for Robust Cross-Domain Nuclei Segmentation

Accurate nuclei segmentation underpins quantitative computational pathology, yet remains challenging due to morphological variability, weak boundaries, nuclear crowding, and pronounced domain shifts arising from differences in tissue preparation, staining, and acquisition. While deep learning and recent foundation models have improved segmentation performance under matched distributions with the original training data, their generalization across heterogeneous histopathology domains remains limited. We introduce GDBA-Net, a parameter-efficient nuclei segmentation framework built around the proposed Gated Dual-Branch Adapter (GDBA). GDBA-Net adapts a frozen SAM2 encoder by integrating pretrained semantic representations with explicit frequency-derived structural priors. The complementary representations are independently transformed through Grid MLP branches and dynamically integrated using sample-adaptive channel-wise gating, selectively emphasizing structural cues relevant to nuclear delineation. Despite using only 4.3 million trainable parameters, GDBA-Net achieves state-of-the-art in-dataset performance and consistently superior cross-dataset generalization across six diverse nuclei segmentation benchmarks under fully supervised, cross-dataset, and five-shot adaptation protocols, outperforming competing CNN-, transformer-, and foundation model based methods. Comprehensive ablations confirm that these gains arise from the coordinated design of semantic-frequency complementarity and adaptive gating rather than increased model capacity. By uniting transferable semantic representations with explicit structural priors, GDBA-Net provides a robust, annotation-efficient solution to domain variability in nuclei segmentation. https://github.com/biplabpoudel25/GDBA_Net

cs.CV↗

Beyond Spatio-Temporal Priors: A Generalizable Approach for Dense Correspondence Matching

Dense correspondence matching has historically been bounded by simplifying spatio-temporal priors, such as smooth motion and rigid geometry. While effective for classical tasks, these assumptions break down in image editing and reference-guided generation (IEG), where transformations can preserve visual identity while breaking physical continuity. To establish identity-preserving correspondence across such transformations, we introduce FreeMatching, a generalizable framework combining generative and semantic foundation representations with heterogeneous supervision from classical datasets, tracked videos, and synthetic scenes. Teacher-guided iterative refinement further improves correspondence in IEG without dense correspondence annotations. Experimentally, a single FreeMatching model substantially improves correspondence quality on challenging IEG image pairs while retaining competitive performance on classical benchmarks. Furthermore, we demonstrate its utility as a quantitative metric for evaluating identity preservation, with scores that correlate with human judgment. The code is available at https://github.com/luping-liu/FreeMatching.

cs.CV↗

Multi-wavelength study of EP250416a / GRB 250416C: An Optically Dark Long GRB with a Late Jet Break

We present multi-wavelength study of the $γ$/X-ray transient EP250416a (also designated GRB 250416C), triggered by the Einstein Probe (EP) Wide-field X-ray Telescope and also by SVOM and Konus-Wind (KW). Observations spanning the $γ$-ray, X-ray, and optical bands facilitated detailed analysis of the burst's prompt emission, afterglow evolution, and physical origin. GRB 250416C exhibits a burst duration of 30 s in X-ray and 17.7 s in $γ$-rays, with joint spectral fitting of 0.5-5000 keV data gives $E\rm_{peak}=342_{-232}^{+90}$ keV. Optical spectroscopy of the afterglow, acquired with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South, yielded a redshift of $z=0.963$. Accounting for the measured redshift, the isotropic energies are $E\rm_{X,iso}=2.7_{-0.5}^{+0.9}\times10^{50}$ erg and $E\rm_{γ,iso}=7.34_{-2.1}^{+5.1}\times10^{51}$ erg, aligning with the Amati relation for long GRBs. The fluence ratio $\rm S(25-50~keV)/S(50-100~keV)=0.78_{-0.12}^{+0.10}$ classifies GRB 250416C as an X-ray rich (XRR) GRB. The X-ray afterglow shows an initial shallow decay ($α\approx -0.5$) transitioning to a canonical decay phase ($α\approx -1$), with a very late jet break at $t\sim 1.5\times 10^6$ s, corresponding to a jet half-opening angle of $θ_j=10.6_{-1.8}^{+1.9}$ degrees. GRB 250416C is optically dark, as it shows only a faint $r$-band detection ($r=24.16\pm 0.13$ mag) from Gemini South-GMOS and a low optical-to-X-ray spectral index $β_{\rm OX} = 0.3$. This may be attributed to significant host-galaxy extinction, with a required $A_V^{\text{host}}=2.7\pm 0.3\ \text{mag}$ derived from the extinction curve model.

astro-ph.HE↗

ReplayLens: Auditing Agents' Use of Outcomes

When an agent reuses logged experience, a changed decision may reflect the recorded score, the action's name, or the record's position in storage. Standard memory evaluations do not reveal which relationship drives that change. We introduce ReplayLens, a black-box audit that changes one relationship in the stored history at a time, holds the remaining interface fixed, and measures the resulting decision. Four interventions target four relationships. Outcome reassignment swaps which scores belong to which actions. Pair transport moves intact action-score pairs to new record slots. Consistent renaming relabels actions in both history and menu. Key-slot reassignment changes both score attachment and position. A constructive separation shows why the audit is needed: two memory writers with identical endpoint accuracy respond differently to the same replay, so conventional evaluation cannot resolve the underlying dependence. On black-box LLM interfaces, swapping scores changes decisions while moving intact pairs does not, separating score attachment from record order. A bounded-memory study exposes ingestion-order sensitivity that endpoint comparison misses. In sequential experiment planning, altered historical scores redirect exploration and reduce final utility despite fresh measurements. A code-debugging agent with sealed hidden tests shows the same pattern outside model selection. ReplayLens provides a relationship-level audit for deciding whether logged experience can be merged, reordered, or reindexed safely.

cs.AI↗

Learning Latent Protein Languages for Autoregressive Generation

Autoregressive transformers remain comparatively weak for protein sequence and structure generation. We study the role of target representation: amino acid tokens encode residue identities without explicit contextual semantics, while backbone coordinates require a discrete representation in our framework. We introduce two learned latent protein languages. Protein Latent Language (PLL) maps sequences to a 4,096-state contextual alphabet built on a frozen ESM-2 encoder, with one token per residue. Structure Latent Language (SLL) adapts GCP-VQVAE Lite with auxiliary sequence and confidence supervision while retaining decoding to backbone coordinates. We separately pretrain autoregressive transformer models on PLL and SLL tokens using next-token prediction, yielding PLLM and SLLM. Under matched downstream sequence training, PLLM has a fitted compute-scaling exponent of 0.038 versus 0.020 for the amino acid autoregressive model. In unconditional sequence generation, PLLM reduces the fraction of samples below a heuristic 1.5-bit residue-composition entropy threshold by 54% relative to the amino acid model across sampling temperatures. For sequence-to-structure prediction, replacing the original GCP-VQVAE Lite tokenizer with SLL reduces best validation perplexity by 34% under matched training. For long proteins, latent-token sampling is approximately 1,000 times faster than MSA-based AlphaFold2 in our measurements. In backbone generation, SLLM compares favorably with other generative models on diversity and novelty. We also observe early signs that using SLLM's internal token confidence for inference-time sampling can improve sequence-to-structure prediction quality beyond a single decoded sample. These results position learned latent protein languages as a promising substrate for autoregressive transformer scaling and inference-time sampling in protein generation.

cs.LG↗

AssayRouter: Historical Utility Priors for Frozen Molecular Predictor Routing

Laboratories often face a new molecular assay with 16-64 labels and a bank of predictors whose training data and parameters are unavailable. The practical question is which frozen outputs to include in a small local model. AssayRouter treats completed assays as pseudo-targets and labels each candidate by its post-fit utility: the reduction in held-out discovery loss when the candidate is added to the local target predictor. A shared regressor learns to predict this utility from candidate behavior on the support set, without source identity; on a new assay, one frozen ranking selects four sources and separate labels fit a convex combiner. We train only on completed ChEMBL-MT assays and evaluate 24 external regression assays across six frozen interface families. AssayRouter-C lowers strict four-call negative log-likelihood (NLL) by 0.0409 relative to Support-CV@4. Frozen candidate-label permutations confirm that candidate-utility correspondence carries the transferred information, and leave-one-interface-out training shows that the mapping generalizes to unseen predictor families. Completed assays therefore provide transferable supervision for scarce-label routing through frozen prediction interfaces.

cs.AI↗

RoutePrism: Tracing Construction Order Effects in Agent Memory

Processing the same records in a different order can discard different evidence, yet endpoint accuracy alone cannot reveal what changed or whether it mattered. We introduce RoutePrism, a diagnostic protocol that builds memory twice from the same source pool in two processing orders, then traces which sources, compiled contexts, and answers differ. Because record content, timestamps, policy, and the answer model all stay fixed, any observed difference is localized to the memory construction step. A matched four-condition intervention tests whether a record displaced by reordering actually carried task-relevant evidence: restoring that single record recovers over 60 percentage points of lost accuracy, while substituting a non-supporting record of equal length does not. We evaluate the protocol on PersonaMem-32K (63 primary queries, 29 users) and 470 LongMemEval-S questions with histories spanning 38 to 62 sessions, replicating the core intervention across five answer models. Survivor selection, defined as the choice of which record a cluster retains, drives most source-level changes, while different memory policies (compaction, bounded recency, MemoChat-style summarization, A-MEM) produce distinct failure signatures at the source, context, and metadata layers.

cs.AI↗

Same Winners, Different Success Rates: Evaluating How LLM Agents Recover from Failures

Evaluating how LLM agents recover from mid-task failures is central to deploying reliable agentic systems. Existing checkpoint-based benchmarks measure recovery by comparing which action is selected as best across independent runs, a quantity known as set agreement. However, set agreement is a purely ordinal measure that records which action wins without reflecting the absolute level of performance. When all actions fail, they tie at zero reward, and independent runs produce the same tied set with high probability, creating an illusion of stability that masks near-zero recovery success. We formalize this limitation through a set-path symmetry result, proving that for equal-cost Bernoulli actions the success probabilities (0.9, 0.8) and (0.2, 0.1) yield identical best-action-set distributions at every sample size. No procedure based solely on which action wins can distinguish these two regimes. We further prove that certifying exact population ties is impossible in finite time, and that the assignment of outcomes to checkpoints carries information beyond marginal outcome distributions. The pooled success probability is the missing scalar that resolves the ordinal ambiguity. Experiments on 864 frozen RecoveryBench episodes and two planning cohorts totaling 3,456 responses confirm the theoretical predictions. Agreement and held-out quality can move in opposite directions, and permuting checkpoint-to-action bindings changes 8 to 13 percent of cell-level conclusions. Based on these findings, we propose reporting four diagnostic quantities (agreement, all-zero fraction, held-out success, and pooled success) that expose this failure mode with no additional data collection.

cs.AI↗

EP250302a: violent shell collision in a soft-X-ray-selected GRB-like transient

The Einstein Probe opens a previously unexplored soft X-ray window onto gamma-ray bursts, filling a critical observational gap in the soft X-ray coverage of their prompt emission. In this letter, we present EP250302a, a soft-X-ray-selected, GRB-like transient at $z=1.131$ detected by the Einstein Probe. Follow-up observations from X-ray to radio reveal a narrow X-ray flare at $\sim 1.1$\, ks and subsequent achromatic optical and X-ray rebrightening. These features challenge a standard single-component afterglow model and indicate the need for multiple ejecta components. A violent collision between a late relativistic shell and the decelerated leading blast wave provides a plausible interpretation: the flare arises from internal dissipation of the late ejecta, while the rebrightening is powered by the shocked emission produced in the collision. Quantitative modeling constrains the kinetic energy ratio between the late shell and the initial ejecta to $E_{\rm k,iso,2}/E_{\rm k,iso,1} \sim 5$ (with $E_{\rm k,iso,2} \sim 10^{53}$~erg and $E_{\rm k,iso,1} \sim 2\times10^{52}$~erg), as well as the Lorentz factor contrast to $Γ_{2,0}/Γ_{1,0} \approx 0.98$--$2.27$, required to reproduce the observed flare luminosity and rebrightening amplitude. Such an energetic late shell can be launched in a radiatively inefficient second episode of central-engine activity. Thanks to the well-sampled, early-time multiband coverage facilitated by the EP trigger, EP250302a provides a valuable case to test the physical connection between central-engine activity and shell collisions.

astro-ph.HE↗

GaussVid: Sparse-View Gaussian Splatting with 3D-Aware Video Diffusion Priors

3D Gaussian Splatting (3DGS) has achieved remarkable success in novel view synthesis; however, reconstructions under sparse views often exhibit noticeable artifacts. While recent video diffusion models provide strong spatio-temporal priors for 3DGS restoration, directly fine-tuning them for restoration is suboptimal, as they lack awareness of the underlying multi-camera geometry, resulting in multi-view inconsistencies. In this work, we propose a novel 3D-aware video restoration framework designed to enhance the quality of sparse 3DGS reconstruction. Specifically, we construct a large-scale 3DGS video dataset to enable specialized fine-tuning. To bridge the gap between 2D video generation and 3D multi-view constraints, we introduce a camera-conditioned geometric prior. By using the first and last frames as boundary anchors and encoding the corresponding camera relationships, we explicitly inject spatial structure into the video generation pipeline. This boundary-anchored, camera-aware prior guides the network toward geometrically grounded restoration that remains coherent across viewpoints. Extensive experiments show that, among video-prior restoration methods, our approach attains the best pixel- and structure-level fidelity (PSNR/SSIM) and improves multi-view consistency, while remaining competitive in perceptual quality (LPIPS).

cs.CV↗

Minutes-long soft X-ray prompt emission from a compact object merger

Compact object mergers are multi-messenger sources and known progenitors of some gamma-ray bursts, bright flashes of high-energy radiation powered by a central engine, either an accreting black hole or a neutron star. Our understanding of these events has so far been shaped primarily by observations in the gamma-ray band, leaving their prompt phase poorly constrained at lower energies. A long-lasting ($\approx$100 s) engine-driven X-ray emission was discussed to explain rapidly fading X-ray afterglows following several ($\approx$30%) bursts of short ($\lesssim$2 s) duration. However, this prompt X-ray component was not directly observed and past candidates were not confirmed. Here we report the discovery of EP250704a containing a minutes-long ($\sim$560 s) flash of soft (0.5--4 keV) X-rays immediately following the short ($\sim$0.4 s) GRB 250704B. The variability and spectral shape of this emission are inconsistent with the canonical picture of a hard, accretion-powered spike followed by a standard external-shock afterglow. Instead, the long-soft bump points to a distinct phase of prompt emission in X-rays, which would not have been detected without the soft X-ray coverage of Einstein Probe. The detection of a prompt soft X-ray counterpart in an otherwise ordinary short GRB shows that long-lasting X-ray emission is likely a common feature of merger-driven bursts and a promising electromagnetic counterpart to gravitational wave sources.

astro-ph.HE↗

GRB 260310A / SN 2026fgk: A Multi-Wavelength Study of a Nearby Underluminous Long GRB and SN with a Complex Afterglow

We present a comprehensive multi-wavelength study of GRB 260310A / SN 2026fgk, a nearby ($z=0.153$), long-duration gamma-ray burst (GRB) with an exceptionally underluminous prompt $γ$-ray emission and a Comptonized spectrum. The burst occurred at the edge of a blue host galaxy at a projected distance of 15 kpc, which is one of the largest offsets reported for a long GRB. The bright optical afterglow, with dense coverage from COLIBRÍ, likely peaked at a few to several hours post-burst, followed by a shallow decay not expected from canonical afterglow models. Both the optical and X-ray light curves show a brief chromatic plateau from $4-7$ days. We show that the subsequent rebrightening observed at $\sim20$ days is best explained by the combined contribution of the associated Type Ic-BL supernova, identified in GTC spectra, and a late-time refreshed shock. The broadband optical to X-ray spectral energy distribution is well described by synchrotron emission from the forward shock, while the radio observations demand an additional emission component. We model the afterglow using (a) an on-axis uniform jet from a dirty fireball with late-time energy injection and (b) a misaligned jet with power-law angular structure, both having material emitting along our line-of-sight (LOS) moving with an initial Lorentz factor of $Γ_0\sim20-35$. We conclude that at more typical GRB distances ($z\gtrsim0.5$) the prompt $γ$-ray emission from this source would likely have escaped detection, whereas its optical afterglow would have remained observable, making the event appear as an orphan afterglow or a gamma-ray quiet fast X-ray transient.

astro-ph.HE↗

READ: A Retrieval-Alignment Diffusion Framework for Structure-based Drug Design

Structure-based drug design (SBDD) models are central to modern pharmaceutical research, enabling the rational exploration of protein-ligand interactions at atomic resolution. However, most existing approaches frame molecular generation as an isolated optimization or a one-to-one matching task, overlooking the shared binding patterns and intrinsic similarities among protein-ligand complexes. This fragmented perspective constrains their ability to capture the fundamental principles governing molecular recognition and binding specificity. Moreover, the limited availability of high-quality experimental data further hampers model generalization and real-world applicability. To address these challenges, we present READ, a retrieval-alignment molecular generation framework that conditions the generative process on small molecules targeting homologous proteins. Retrieved ligands are aligned with a diffusion model across multiple representational spaces and integrated as conditional guidance throughout successive stages of generation. Under a standardized docking-based evaluation protocol, READ achieves consistently strong performance against state-of-the-art SBDD methods. More importantly, it introduces a retrieval-alignment paradigm for structure-based molecular generation, offering a practical framework for early-stage computational hit generation while leaving prospective experimental validation as future work.

q-bio.BM↗